data_17183 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17183 _Entry.Title ; Solid-state 31P NMR Spectroscopy of Microcrystals of the Ras Protein and its Effector Loop Mutants: Comparison Between Crystalline and Solution State ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-10 _Entry.Accession_date 2010-09-10 _Entry.Last_release_date 2010-11-10 _Entry.Original_release_date 2010-11-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Adriana Iuga . . . 17183 2 Michael Spoerner . . . 17183 3 Hans Kalbitzer . R. . 17183 4 Eike Brunner . . . 17183 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID chemical_rates 1 17183 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'kinetic rates' 1 17183 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-11-10 2010-09-10 original author . 17183 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17183 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15342254 _Citation.Full_citation . _Citation.Title 'Solid-state 31P NMR Spectroscopy of Microcrystals of the Ras Protein and its Effector Loop Mutants: Comparison Between Crystalline and Solution State' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 342 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1033 _Citation.Page_last 1040 _Citation.Year 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Adriana Iuga . . . 17183 1 2 Michael Spoerner . . . 17183 1 3 Hans Kalbitzer . R. . 17183 1 4 Eike Brunner . . . 17183 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17183 _Assembly.ID 1 _Assembly.Name 'RasMg/GppNHp complex' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Ras 1 $Ras A . yes native no no . . . 17183 1 2 MG 2 $MG A . yes native no no . . . 17183 1 3 GppNHp 3 $GNP A . yes native no no . . . 17183 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ras _Entity.Sf_category entity _Entity.Sf_framecode Ras _Entity.Entry_ID 17183 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ras _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MTEYKLVVVGAGGVGKSALT IQLIQNHFVDEYDPTIEDSY RKQVVIDGETCLLDILDTAG QEEYSAMRDQYMRTGEGFLC VFAINNTKSFEDIHQYREQI KRVKDSDDVPMVLVGNKCDL AARTVESRQAQDLARSYGIP YIETSAKTRQGVEDAFYTLV REIRQH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 166 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 10051 . RasY32W . . . . . 100.00 178 99.40 100.00 1.46e-117 . . . . 17183 1 2 no BMRB 17610 . "GppNHp-bound H-RasT35S mutant protein" . . . . . 100.00 172 99.40 100.00 6.32e-117 . . . . 17183 1 3 no BMRB 17678 . HRas166 . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 4 no BMRB 18461 . entity_1 . . . . . 100.00 172 100.00 100.00 1.88e-117 . . . . 17183 1 5 no BMRB 18479 . HRas166 . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 6 no BMRB 18629 . entity_1 . . . . . 100.00 166 99.40 100.00 2.05e-117 . . . . 17183 1 7 no BMRB 25730 . H-Ras_G12V . . . . . 100.00 169 99.40 99.40 2.05e-116 . . . . 17183 1 8 no PDB 121P . "Struktur Und Guanosintriphosphat-Hydrolysemechanismus Des C- Terminal Verkuerzten Menschlichen Krebsproteins P21-H-Ras" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 9 no PDB 1AA9 . "Human C-Ha-Ras(1-171)(Dot)gdp, Nmr, Minimized Average Structure" . . . . . 100.00 171 100.00 100.00 6.15e-118 . . . . 17183 1 10 no PDB 1AGP . "Three-Dimensional Structures And Properties Of A Transforming And A Nontransforming Gly-12 Mutant Of P21-H-Ras" . . . . . 100.00 166 99.40 99.40 1.07e-116 . . . . 17183 1 11 no PDB 1BKD . "Complex Of Human H-Ras With Human Sos-1" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 12 no PDB 1CLU . "H-Ras Complexed With Diaminobenzophenone-Beta,Gamma-Imido- Gtp" . . . . . 100.00 166 99.40 99.40 1.11e-116 . . . . 17183 1 13 no PDB 1CRP . "The Solution Structure And Dynamics Of Ras P21. Gdp Determined By Heteronuclear Three And Four Dimensional Nmr Spectroscopy" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 14 no PDB 1CRQ . "The Solution Structure And Dynamics Of Ras P21. Gdp Determined By Heteronuclear Three And Four Dimensional Nmr Spectroscopy" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 15 no PDB 1CRR . "The Solution Structure And Dynamics Of Ras P21. Gdp Determined By Heteronuclear Three And Four Dimensional Nmr Spectroscopy" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 16 no PDB 1CTQ . "Structure Of P21ras In Complex With Gppnhp At 100 K" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 17 no PDB 1GNP . "X-Ray Crystal Structure Analysis Of The Catalytic Domain Of The Oncogene Product P21h-Ras Complexed With Caged Gtp And Mant Dgp" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 18 no PDB 1GNQ . "X-Ray Crystal Structure Analysis Of The Catalytic Domain Of The Oncogene Product P21h-Ras Complexed With Caged Gtp And Mant Dgp" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 19 no PDB 1GNR . "X-Ray Crystal Structure Analysis Of The Catalytic Domain Of The Oncogene Product P21h-Ras Complexed With Caged Gtp And Mant Dgp" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 20 no PDB 1HE8 . "Ras G12v-Pi 3-Kinase Gamma Complex" . . . . . 100.00 166 99.40 99.40 1.89e-116 . . . . 17183 1 21 no PDB 1IAQ . "C-H-Ras P21 Protein Mutant With Thr 35 Replaced By Ser (T35s) Complexed With Guanosine-5'-[b,G-Imido] Triphosphate" . . . . . 100.00 166 99.40 100.00 2.05e-117 . . . . 17183 1 22 no PDB 1IOZ . "Crystal Structure Of The C-Ha-Ras Protein Prepared By The Cell-Free Synthesis" . . . . . 100.00 171 100.00 100.00 6.15e-118 . . . . 17183 1 23 no PDB 1JAH . "H-Ras P21 Protein Mutant G12p, Complexed With Guanosine-5'- [beta,Gamma-Methylene] Triphosphate And Magnesium" . . . . . 100.00 166 98.80 98.80 8.63e-116 . . . . 17183 1 24 no PDB 1JAI . "H-Ras P21 Protein Mutant G12p, Complexed With Guanosine-5'- [beta,Gamma-Methylene] Triphosphate And Manganese" . . . . . 100.00 166 99.40 99.40 1.11e-116 . . . . 17183 1 25 no PDB 1K8R . "Crystal Structure Of Ras-Bry2rbd Complex" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 26 no PDB 1LF0 . "Crystal Structure Of Rasa59g In The Gtp-Bound Form" . . . . . 100.00 166 99.40 99.40 5.49e-117 . . . . 17183 1 27 no PDB 1LF5 . "Crystal Structure Of Rasa59g In The Gdp-Bound Form" . . . . . 100.00 166 99.40 99.40 5.49e-117 . . . . 17183 1 28 no PDB 1LFD . "Crystal Structure Of The Active Ras Protein Complexed With The Ras-interacting Domain Of Ralgds" . . . . . 100.00 167 99.40 100.00 2.40e-117 . . . . 17183 1 29 no PDB 1NVU . "Structural Evidence For Feedback Activation By Rasgtp Of The Ras-Specific Nucleotide Exchange Factor Sos" . . . . . 100.00 166 99.40 99.40 5.49e-117 . . . . 17183 1 30 no PDB 1NVV . "Structural Evidence For Feedback Activation By Rasgtp Of The Ras-specific Nucleotide Exchange Factor Sos" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 31 no PDB 1NVW . "Structural Evidence For Feedback Activation By Rasgtp Of The Ras-specific Nucleotide Exchange Factor Sos" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 32 no PDB 1NVX . "Structural Evidence For Feedback Activation By Rasgtp Of The Ras-Specific Nucleotide Exchange Factor Sos" . . . . . 100.00 166 99.40 99.40 5.49e-117 . . . . 17183 1 33 no PDB 1P2S . "H-Ras 166 In 50% 2,2,2 Triflouroethanol" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 34 no PDB 1P2T . "H-Ras 166 In Aqueous Mother Liqour, Rt" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 35 no PDB 1P2U . "H-Ras In 50% Isopropanol" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 36 no PDB 1P2V . "H-Ras 166 In 60 % 1,6 Hexanediol" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 37 no PDB 1PLJ . "Crystallographic Studies On P21h-Ras Using Synchrotron Laue Method: Improvement Of Crystal Quality And Monitoring Of The Gtpase" . . . . . 100.00 166 99.40 99.40 1.11e-116 . . . . 17183 1 38 no PDB 1PLK . "Crystallographic Studies On P21h-Ras Using Synchrotron Laue Method: Improvement Of Crystal Quality And Monitoring Of The Gtpase" . . . . . 100.00 166 98.80 98.80 8.63e-116 . . . . 17183 1 39 no PDB 1PLL . "Crystallographic Studies On P21h-Ras Using Synchrotron Laue Method: Improvement Of Crystal Quality And Monitoring Of The Gtpase" . . . . . 100.00 166 99.40 99.40 1.11e-116 . . . . 17183 1 40 no PDB 1Q21 . "Crystal Structures At 2.2 Angstroms Resolution Of The Catalytic Domains Of Normal Ras Protein And An Oncogenic Mutant Complexed" . . . . . 100.00 171 100.00 100.00 6.15e-118 . . . . 17183 1 41 no PDB 1QRA . "Structure Of P21ras In Complex With Gtp At 100 K" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 42 no PDB 1RVD . "H-Ras Complexed With Diaminobenzophenone-Beta,Gamma-Imido- Gtp" . . . . . 100.00 166 99.40 99.40 1.89e-116 . . . . 17183 1 43 no PDB 1WQ1 . "Ras-Rasgap Complex" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 44 no PDB 1XCM . "Crystal Structure Of The Gppnhp-Bound H-Ras G60a Mutant" . . . . . 100.00 167 98.80 98.80 1.23e-115 . . . . 17183 1 45 no PDB 1XD2 . "Crystal Structure Of A Ternary Ras:sos:ras*gdp Complex" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 46 no PDB 1XJ0 . "Crystal Structure Of The Gdp-Bound Form Of The Rasg60a Mutant" . . . . . 100.00 166 98.80 98.80 1.35e-115 . . . . 17183 1 47 no PDB 1ZVQ . "Structure Of The Q61g Mutant Of Ras In The Gdp-Bound Form" . . . . . 100.00 166 99.40 99.40 1.23e-116 . . . . 17183 1 48 no PDB 1ZW6 . "Crystal Structure Of The Gtp-Bound Form Of Rasq61g" . . . . . 100.00 166 98.80 98.80 2.78e-115 . . . . 17183 1 49 no PDB 221P . "Three-Dimensional Structures Of H-Ras P21 Mutants: Molecular Basis For Their Inability To Function As Signal Switch Molecules" . . . . . 100.00 166 99.40 100.00 2.70e-117 . . . . 17183 1 50 no PDB 2C5L . "Structure Of Plc Epsilon Ras Association Domain With Hras" . . . . . 100.00 173 99.40 99.40 3.64e-116 . . . . 17183 1 51 no PDB 2CE2 . "Crystal Structure Analysis Of A Fluorescent Form Of H-ras P21 In Complex With Gdp" . . . . . 100.00 166 98.80 98.80 5.07e-115 . . . . 17183 1 52 no PDB 2CL0 . "Crystal Structure Analysis Of A Fluorescent Form Of H-Ras P21 In Complex With Gppnhp" . . . . . 100.00 166 98.80 98.80 5.07e-115 . . . . 17183 1 53 no PDB 2CL6 . "Crystal Structure Analysis Of A Fluorescent Form Of H-ras P21 In Complex With S-caged Gtp" . . . . . 100.00 166 98.80 98.80 5.07e-115 . . . . 17183 1 54 no PDB 2CL7 . "Crystal Structure Analysis Of A Fluorescent Form Of H-ras P21 In Complex With Gtp" . . . . . 100.00 166 98.80 98.80 5.07e-115 . . . . 17183 1 55 no PDB 2CLC . "Crystal Structure Analysis Of A Fluorescent Form Of H-ras P21 In Complex With Gtp (2)" . . . . . 100.00 166 98.80 98.80 5.07e-115 . . . . 17183 1 56 no PDB 2CLD . "Crystal Structure Analysis Of A Fluorescent Form Of H-ras P21 In Complex With Gdp (2)" . . . . . 100.00 166 99.40 99.40 1.22e-116 . . . . 17183 1 57 no PDB 2EVW . "Crystal Structure Analysis Of A Fluorescent Form Of H-Ras P21 In Complex With R-Caged Gtp" . . . . . 100.00 166 98.80 98.80 5.07e-115 . . . . 17183 1 58 no PDB 2LCF . "Solution Structure Of Gppnhp-Bound H-Rast35s Mutant Protein" . . . . . 100.00 172 99.40 100.00 6.32e-117 . . . . 17183 1 59 no PDB 2LWI . "Solution Structure Of H-rast35s Mutant Protein In Complex With Kobe2601" . . . . . 100.00 172 99.40 100.00 6.32e-117 . . . . 17183 1 60 no PDB 2N42 . "Ec-nmr Structure Of Human H-rast35s Mutant Protein Determined By Combining Evolutionary Couplings (ec) And Sparse Nmr Data" . . . . . 100.00 172 99.40 100.00 6.32e-117 . . . . 17183 1 61 no PDB 2N46 . "Ec-nmr Structure Of Human H-rast35s Mutant Protein Determined By Combining Evolutionary Couplings (ec) And Sparse Nmr Data" . . . . . 100.00 172 99.40 100.00 6.32e-117 . . . . 17183 1 62 no PDB 2Q21 . "Crystal Structures At 2.2 Angstroms Resolution Of The Catalytic Domains Of Normal Ras Protein And An Oncogenic Mutant Complexed" . . . . . 100.00 171 99.40 99.40 1.46e-116 . . . . 17183 1 63 no PDB 2QUZ . "Crystal Structure Of The Activating H-Rask117r Mutant In Costello Syndrome, Bound To Mg-Gdp" . . . . . 100.00 166 99.40 100.00 2.73e-117 . . . . 17183 1 64 no PDB 2RGA . "Crystal Structure Of H-Rasq61i-Gppnhp" . . . . . 100.00 166 99.40 99.40 1.18e-116 . . . . 17183 1 65 no PDB 2RGB . "Crystal Structure Of H-Rasq61k-Gppnhp" . . . . . 100.00 166 99.40 100.00 3.08e-117 . . . . 17183 1 66 no PDB 2RGC . "Crystal Structure Of H-Rasq61v-Gppnhp" . . . . . 100.00 166 99.40 99.40 9.18e-117 . . . . 17183 1 67 no PDB 2RGD . "Crystal Structure Of H-Rasq61l-Gppnhp" . . . . . 100.00 166 99.40 99.40 9.18e-117 . . . . 17183 1 68 no PDB 2RGE . "Crystal Structure Of H-Ras-Gppnhp" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 69 no PDB 2RGG . "Crystal Structure Of H-Rasq61i-Gppnhp, Trigonal Crystal Form" . . . . . 100.00 166 99.40 99.40 1.18e-116 . . . . 17183 1 70 no PDB 2UZI . "Crystal Structure Of Hras(G12v) - Anti-Ras Fv Complex" . . . . . 100.00 166 99.40 99.40 1.89e-116 . . . . 17183 1 71 no PDB 2VH5 . "Crystal Structure Of Hras(G12v) - Anti-Ras Fv (Disulfide Free Mutant) Complex" . . . . . 100.00 166 99.40 99.40 1.89e-116 . . . . 17183 1 72 no PDB 2X1V . "Crystal Structure Of The Activating H-Ras I163f Mutant In Costello Syndrome, Bound To Mg-Gdp" . . . . . 100.00 166 99.40 99.40 3.83e-117 . . . . 17183 1 73 no PDB 3DDC . "Crystal Structure Of Nore1a In Complex With Ras" . . . . . 100.00 166 98.80 100.00 1.17e-116 . . . . 17183 1 74 no PDB 3I3S . "Crystal Structure Of H-Ras With Thr50 Replaced By Isoleucine" . . . . . 100.00 166 99.40 99.40 6.12e-117 . . . . 17183 1 75 no PDB 3K8Y . "Allosteric Modulation Of H-Ras Gtpase" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 76 no PDB 3K9L . "Allosteric Modulation Of H-Ras Gtpase" . . . . . 100.00 166 99.40 100.00 2.31e-117 . . . . 17183 1 77 no PDB 3K9N . "Allosteric Modulation Of H-Ras Gtpase" . . . . . 100.00 166 99.40 100.00 2.31e-117 . . . . 17183 1 78 no PDB 3KKM . "Crystal Structure Of H-ras T35s In Complex With Gppnhp" . . . . . 100.00 172 99.40 100.00 6.32e-117 . . . . 17183 1 79 no PDB 3KKN . "Crystal Structure Of H-ras T35s In Complex With Gppnhp" . . . . . 100.00 172 99.40 100.00 6.32e-117 . . . . 17183 1 80 no PDB 3KUD . "Complex Of Ras-Gdp With Rafrbd(A85k)" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 81 no PDB 3L8Y . "Complex Of Ras With Cyclen" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 82 no PDB 3L8Z . "H-Ras Wildtype New Crystal Form" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 83 no PDB 3LBH . "Ras Soaked In Calcium Acetate" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 84 no PDB 3LBI . "Ras Soaked In Magnesium Acetate And Back Soaked In Calcium A" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 85 no PDB 3LBN . "Ras Soaked In Magnesium Acetate" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 86 no PDB 3LO5 . "Crystal Structure Of The Dominant Negative S17n Mutant Of Ras" . . . . . 100.00 166 99.40 100.00 2.98e-117 . . . . 17183 1 87 no PDB 3OIU . 'H-Rasq61l With Allosteric Switch In The "on" State' . . . . . 100.00 166 99.40 99.40 9.18e-117 . . . . 17183 1 88 no PDB 3OIV . 'H-Rasg12v With Allosteric Switch In The "off" State' . . . . . 100.00 166 99.40 99.40 1.89e-116 . . . . 17183 1 89 no PDB 3OIW . 'H-Rasg12v With Allosteric Switch In The "on" State' . . . . . 100.00 166 99.40 99.40 1.89e-116 . . . . 17183 1 90 no PDB 3RRY . "H-Ras Crosslinked Control, Soaked In Aqueous Solution: One Of 10 In Mscs Set" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 91 no PDB 3RRZ . "H-Ras In 70% Glycerol: One Of 10 In Mscs Set" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 92 no PDB 3RS0 . "H-Ras Soaked In Neat Cyclopentanol: One Of 10 In Mscs Set" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 93 no PDB 3RS2 . "H-Ras Soaked In 50% 2,2,2-Trifluoroethanol: One Of 10 In Mscs Set" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 94 no PDB 3RS3 . "H-Ras Soaked In Neat Hexane: 1 Of 10 In Mscs Set" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 95 no PDB 3RS4 . "H-Ras Soaked In 60% 1,6-Hexanediol: 1 Of 10 In Mscs Set" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 96 no PDB 3RS5 . "H-Ras Soaked In 55% Dimethylformamide: 1 Of 10 In Mscs Set" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 97 no PDB 3RS7 . "H-Ras Soaked In 50% Isopropanol: 1 Of 10 In Mscs Set" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 98 no PDB 3RSL . "H-Ras Soaked In 90% R,S,R-Bisfuranol: One Of 10 In Mscs Set" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 99 no PDB 3RSO . "H-Ras Soaked In 20% S,R,S-Bisfuranol: 1 Of 10 In Mscs Set" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 100 no PDB 3TGP . "Room Temperature H-Ras" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 101 no PDB 3V4F . "H-Ras Peg 400CACL2, ORDERED OFF" . . . . . 100.00 166 99.40 100.00 2.76e-117 . . . . 17183 1 102 no PDB 421P . "Three-Dimensional Structures Of H-Ras P21 Mutants: Molecular Basis For Their Inability To Function As Signal Switch Molecules" . . . . . 100.00 166 99.40 99.40 1.36e-116 . . . . 17183 1 103 no PDB 4DLR . "H-Ras Peg 400CA(OAC)2, ORDERED OFF" . . . . . 100.00 166 99.40 100.00 2.76e-117 . . . . 17183 1 104 no PDB 4DLS . "H-Ras Set 1 Cacl2 'mixed'" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 105 no PDB 4DLT . "H-Ras Set 2 Ca(Oac)2, On" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 106 no PDB 4DLU . "H-Ras Set 1 Ca(Oac)2, On" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 107 no PDB 4DLV . "H-Ras Set 2 Cacl2DTT, ORDERED OFF" . . . . . 100.00 166 99.40 100.00 2.76e-117 . . . . 17183 1 108 no PDB 4DLW . "H-Ras Set 2 Ca(Oac)2DTT, ON" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 109 no PDB 4DLX . "H-Ras Set 1 Cacl2DTE, ORDERED OFF" . . . . . 100.00 166 99.40 100.00 2.76e-117 . . . . 17183 1 110 no PDB 4DLY . "Set 1 Cacl2DTT, ORDERED OFF" . . . . . 100.00 166 99.40 100.00 2.76e-117 . . . . 17183 1 111 no PDB 4DLZ . "H-Ras Set 2 Ca(Oac)2DTE, ORDERED OFF" . . . . . 100.00 166 99.40 100.00 2.76e-117 . . . . 17183 1 112 no PDB 4EFL . "Crystal Structure Of H-ras Wt In Complex With Gppnhp (state 1)" . . . . . 100.00 171 100.00 100.00 1.56e-117 . . . . 17183 1 113 no PDB 4EFM . "Crystal Structure Of H-ras G12v In Complex With Gppnhp (state 1)" . . . . . 100.00 171 99.40 99.40 2.88e-116 . . . . 17183 1 114 no PDB 4EFN . "Crystal Structure Of H-ras Q61l In Complex With Gppnhp (state 1)" . . . . . 100.00 171 99.40 99.40 1.92e-116 . . . . 17183 1 115 no PDB 4G0N . "Crystal Structure Of Wt H-ras-gppnhp Bound To The Rbd Of Raf Kinase" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 116 no PDB 4G3X . "Crystal Structure Of Q61l H-ras-gppnhp Bound To The Rbd Of Raf Kinase" . . . . . 100.00 166 99.40 99.40 9.18e-117 . . . . 17183 1 117 no PDB 4K81 . "Crystal Structure Of The Grb14 Ra And Ph Domains In Complex With Gtp- Loaded H-ras" . . . . . 100.00 171 99.40 99.40 1.37e-116 . . . . 17183 1 118 no PDB 4L9S . "Crystal Structure Of H-ras G12c, Gdp-bound" . . . . . 100.00 171 99.40 99.40 1.80e-116 . . . . 17183 1 119 no PDB 4L9W . "Crystal Structure Of H-ras G12c, Gmppnp-bound" . . . . . 100.00 171 99.40 99.40 1.80e-116 . . . . 17183 1 120 no PDB 4NYI . "Approach For Targeting Ras With Small Molecules That Activate Sos- Mediated Nucleotide Exchange" . . . . . 100.00 167 100.00 100.00 1.01e-117 . . . . 17183 1 121 no PDB 4NYJ . "Approach For Targeting Ras With Small Molecules That Activate Sos- Mediated Nucleotide Exchange" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 122 no PDB 4NYM . "Approach For Targeting Ras With Small Molecules That Activate Sos- Mediated Nucleotide Exchange" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 123 no PDB 4Q21 . "Molecular Switch For Signal Transduction: Structural Differences Between Active And Inactive Forms Of Protooncogenic Ras Protei" . . . . . 100.00 189 100.00 100.00 3.20e-117 . . . . 17183 1 124 no PDB 4RSG . "Neutron Crystal Structure Of Ras Bound To The Gtp Analogue Gppnhp" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 125 no PDB 4URU . "The Crystal Structure Of H-ras And Sos In Complex With Ligands" . . . . . 100.00 185 100.00 100.00 2.10e-117 . . . . 17183 1 126 no PDB 4URV . "The Crystal Structure Of H-ras And Sos In Complex With Ligands" . . . . . 100.00 185 100.00 100.00 2.10e-117 . . . . 17183 1 127 no PDB 4URW . "The Crystal Structure Of H-ras And Sos In Complex With Ligands" . . . . . 100.00 185 100.00 100.00 2.10e-117 . . . . 17183 1 128 no PDB 4URX . "The Crystal Structure Of H-ras And Sos In Complex With Ligands" . . . . . 100.00 185 100.00 100.00 2.10e-117 . . . . 17183 1 129 no PDB 4URY . "The Crystal Structure Of H-ras And Sos In Complex With Ligands" . . . . . 100.00 185 100.00 100.00 2.10e-117 . . . . 17183 1 130 no PDB 4URZ . "The Crystal Structure Of H-ras And Sos In Complex With Ligands" . . . . . 100.00 185 100.00 100.00 2.10e-117 . . . . 17183 1 131 no PDB 4US0 . "The Crystal Structure Of H-ras And Sos In Complex With Ligands" . . . . . 100.00 185 100.00 100.00 2.10e-117 . . . . 17183 1 132 no PDB 4US1 . "The Crystal Structure Of H-ras And Sos In Complex With Ligands" . . . . . 100.00 185 100.00 100.00 2.10e-117 . . . . 17183 1 133 no PDB 4US2 . "The Crystal Structure Of H-ras And Sos In Complex With Ligands" . . . . . 100.00 185 100.00 100.00 2.10e-117 . . . . 17183 1 134 no PDB 4XVQ . "H-ras Y137e" . . . . . 100.00 166 99.40 99.40 1.21e-116 . . . . 17183 1 135 no PDB 4XVR . "H-ras Y137f" . . . . . 100.00 166 99.40 100.00 2.31e-117 . . . . 17183 1 136 no PDB 521P . "Three-Dimensional Structures Of H-Ras P21 Mutants: Molecular Basis For Their Inability To Function As Signal Switch Molecules" . . . . . 100.00 166 98.80 98.80 8.72e-116 . . . . 17183 1 137 no PDB 5P21 . "Refined Crystal Structure Of The Triphosphate Conformation Of H-Ras P21 At 1.35 Angstroms Resolution: Implications For The Mech" . . . . . 100.00 166 100.00 100.00 7.67e-118 . . . . 17183 1 138 no PDB 621P . "Three-Dimensional Structures Of H-Ras P21 Mutants: Molecular Basis For Their Inability To Function As Signal Switch Molecules" . . . . . 100.00 166 99.40 99.40 5.55e-117 . . . . 17183 1 139 no PDB 6Q21 . "Molecular Switch For Signal Transduction: Structural Differences Between Active And Inactive Forms Of Protooncogenic Ras Protei" . . . . . 100.00 171 100.00 100.00 6.15e-118 . . . . 17183 1 140 no PDB 721P . "Three-Dimensional Structures Of H-Ras P21 Mutants: Molecular Basis For Their Inability To Function As Signal Switch Molecules" . . . . . 100.00 166 99.40 99.40 9.18e-117 . . . . 17183 1 141 no PDB 821P . "Three-Dimensional Structures And Properties Of A Transforming And A Nontransforming Glycine-12 Mutant Of P21h-Ras" . . . . . 100.00 166 99.40 99.40 1.11e-116 . . . . 17183 1 142 no DBJ BAB61869 . "Rai-chu 101 [synthetic construct]" . . . . . 100.00 740 100.00 100.00 1.34e-110 . . . . 17183 1 143 no DBJ BAB61870 . "Rai-chu 101X [synthetic construct]" . . . . . 100.00 764 100.00 100.00 1.62e-110 . . . . 17183 1 144 no DBJ BAB88314 . "c-Ha-ras p21 protein [synthetic construct]" . . . . . 100.00 189 100.00 100.00 3.20e-117 . . . . 17183 1 145 no DBJ BAB88315 . "c-Ha-ras p21 protein [synthetic construct]" . . . . . 100.00 189 100.00 100.00 3.20e-117 . . . . 17183 1 146 no DBJ BAB88316 . "c-Ha-ras p21 protein [synthetic construct]" . . . . . 100.00 189 100.00 100.00 3.20e-117 . . . . 17183 1 147 no EMBL CAA25322 . "transforming protein p21 [Moloney murine sarcoma virus]" . . . . . 100.00 189 98.80 98.80 2.88e-115 . . . . 17183 1 148 no EMBL CAA25624 . "p21 protein [Homo sapiens]" . . . . . 67.47 112 99.11 99.11 3.98e-74 . . . . 17183 1 149 no EMBL CAA27258 . "unnamed protein product [Gallus gallus]" . . . . . 100.00 189 98.80 99.40 7.12e-116 . . . . 17183 1 150 no EMBL CAA35240 . "p21 ras [Bos taurus]" . . . . . 57.83 96 97.92 98.96 2.83e-61 . . . . 17183 1 151 no EMBL CAA90306 . "C-H-Ras [Mus musculus]" . . . . . 100.00 189 99.40 99.40 4.08e-116 . . . . 17183 1 152 no GB AAA36554 . "c-Ki-ras p21 protein, partial [Homo sapiens]" . . . . . 57.83 96 97.92 97.92 1.75e-61 . . . . 17183 1 153 no GB AAA42009 . "c-ras-H-1 protein [Rattus norvegicus]" . . . . . 100.00 189 100.00 100.00 3.09e-117 . . . . 17183 1 154 no GB AAA46568 . "transforming protein p21 has [Harvey murine sarcoma virus]" . . . . . 100.00 241 98.19 98.19 1.81e-115 . . . . 17183 1 155 no GB AAA46569 . "protein p30 [Harvey murine sarcoma virus]" . . . . . 100.00 241 98.19 98.19 1.81e-115 . . . . 17183 1 156 no GB AAA46570 . "p21 v-has transforming protein [Harvey murine sarcoma virus]" . . . . . 100.00 189 98.19 98.19 1.49e-114 . . . . 17183 1 157 no PIR A43816 . "transforming protein ras - rabbit" . . . . . 100.00 189 99.40 100.00 6.65e-117 . . . . 17183 1 158 no PIR TVMVNS . "transforming protein ras - NS.C58 murine sarcoma virus" . . . . . 100.00 189 99.40 99.40 6.18e-116 . . . . 17183 1 159 no PRF 0904302A . protein,c-Ha-ras-1 . . . . . 100.00 189 99.40 99.40 7.28e-116 . . . . 17183 1 160 no PRF 1604384A . "ras oncogene" . . . . . 100.00 189 97.59 97.59 9.46e-112 . . . . 17183 1 161 no REF NP_001017003 . "GTPase HRas [Xenopus (Silurana) tropicalis]" . . . . . 100.00 189 98.80 99.40 5.19e-116 . . . . 17183 1 162 no REF NP_001018465 . "-Ha-ras Harvey rat sarcoma viral oncogene homolog b [Danio rerio]" . . . . . 100.00 189 97.59 99.40 1.22e-114 . . . . 17183 1 163 no REF NP_001084278 . "Harvey rat sarcoma viral oncogene homolog [Xenopus laevis]" . . . . . 100.00 189 98.80 99.40 5.19e-116 . . . . 17183 1 164 no REF NP_001091711 . "GTPase HRas precursor [Rattus norvegicus]" . . . . . 100.00 189 100.00 100.00 3.20e-117 . . . . 17183 1 165 no REF NP_001123913 . "GTPase HRas precursor [Rattus norvegicus]" . . . . . 100.00 189 100.00 100.00 3.20e-117 . . . . 17183 1 166 no SP P01112 . "RecName: Full=GTPase HRas; AltName: Full=H-Ras-1; AltName: Full=Ha-Ras; AltName: Full=Transforming protein p21; AltName: Full=c" . . . . . 100.00 189 100.00 100.00 3.20e-117 . . . . 17183 1 167 no SP P01113 . "RecName: Full=GTPase HRas; AltName: Full=Transforming protein p21/H-Ras; Flags: Precursor" . . . . . 100.00 189 98.80 99.40 1.42e-115 . . . . 17183 1 168 no SP P01114 . "RecName: Full=Transforming protein p29; Contains: RecName: Full=Transforming protein p21; Flags: Precursor" . . . . . 100.00 248 98.19 98.19 3.65e-114 . . . . 17183 1 169 no SP P01115 . "RecName: Full=Transforming protein p29; Contains: RecName: Full=Transforming protein p21; Flags: Precursor" . . . . . 100.00 241 98.19 98.19 1.81e-115 . . . . 17183 1 170 no SP P08642 . "RecName: Full=GTPase HRas; AltName: Full=H-Ras-1; AltName: Full=Transforming protein p21; AltName: Full=c-H-ras; AltName: Full=" . . . . . 100.00 189 98.80 99.40 7.12e-116 . . . . 17183 1 171 no TPG DAA13500 . "TPA: v-Ha-ras Harvey rat sarcoma viral oncogene homolog [Bos taurus]" . . . . . 100.00 189 98.80 99.40 2.82e-115 . . . . 17183 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17183 1 2 . THR . 17183 1 3 . GLU . 17183 1 4 . TYR . 17183 1 5 . LYS . 17183 1 6 . LEU . 17183 1 7 . VAL . 17183 1 8 . VAL . 17183 1 9 . VAL . 17183 1 10 . GLY . 17183 1 11 . ALA . 17183 1 12 . GLY . 17183 1 13 . GLY . 17183 1 14 . VAL . 17183 1 15 . GLY . 17183 1 16 . LYS . 17183 1 17 . SER . 17183 1 18 . ALA . 17183 1 19 . LEU . 17183 1 20 . THR . 17183 1 21 . ILE . 17183 1 22 . GLN . 17183 1 23 . LEU . 17183 1 24 . ILE . 17183 1 25 . GLN . 17183 1 26 . ASN . 17183 1 27 . HIS . 17183 1 28 . PHE . 17183 1 29 . VAL . 17183 1 30 . ASP . 17183 1 31 . GLU . 17183 1 32 . TYR . 17183 1 33 . ASP . 17183 1 34 . PRO . 17183 1 35 . THR . 17183 1 36 . ILE . 17183 1 37 . GLU . 17183 1 38 . ASP . 17183 1 39 . SER . 17183 1 40 . TYR . 17183 1 41 . ARG . 17183 1 42 . LYS . 17183 1 43 . GLN . 17183 1 44 . VAL . 17183 1 45 . VAL . 17183 1 46 . ILE . 17183 1 47 . ASP . 17183 1 48 . GLY . 17183 1 49 . GLU . 17183 1 50 . THR . 17183 1 51 . CYS . 17183 1 52 . LEU . 17183 1 53 . LEU . 17183 1 54 . ASP . 17183 1 55 . ILE . 17183 1 56 . LEU . 17183 1 57 . ASP . 17183 1 58 . THR . 17183 1 59 . ALA . 17183 1 60 . GLY . 17183 1 61 . GLN . 17183 1 62 . GLU . 17183 1 63 . GLU . 17183 1 64 . TYR . 17183 1 65 . SER . 17183 1 66 . ALA . 17183 1 67 . MET . 17183 1 68 . ARG . 17183 1 69 . ASP . 17183 1 70 . GLN . 17183 1 71 . TYR . 17183 1 72 . MET . 17183 1 73 . ARG . 17183 1 74 . THR . 17183 1 75 . GLY . 17183 1 76 . GLU . 17183 1 77 . GLY . 17183 1 78 . PHE . 17183 1 79 . LEU . 17183 1 80 . CYS . 17183 1 81 . VAL . 17183 1 82 . PHE . 17183 1 83 . ALA . 17183 1 84 . ILE . 17183 1 85 . ASN . 17183 1 86 . ASN . 17183 1 87 . THR . 17183 1 88 . LYS . 17183 1 89 . SER . 17183 1 90 . PHE . 17183 1 91 . GLU . 17183 1 92 . ASP . 17183 1 93 . ILE . 17183 1 94 . HIS . 17183 1 95 . GLN . 17183 1 96 . TYR . 17183 1 97 . ARG . 17183 1 98 . GLU . 17183 1 99 . GLN . 17183 1 100 . ILE . 17183 1 101 . LYS . 17183 1 102 . ARG . 17183 1 103 . VAL . 17183 1 104 . LYS . 17183 1 105 . ASP . 17183 1 106 . SER . 17183 1 107 . ASP . 17183 1 108 . ASP . 17183 1 109 . VAL . 17183 1 110 . PRO . 17183 1 111 . MET . 17183 1 112 . VAL . 17183 1 113 . LEU . 17183 1 114 . VAL . 17183 1 115 . GLY . 17183 1 116 . ASN . 17183 1 117 . LYS . 17183 1 118 . CYS . 17183 1 119 . ASP . 17183 1 120 . LEU . 17183 1 121 . ALA . 17183 1 122 . ALA . 17183 1 123 . ARG . 17183 1 124 . THR . 17183 1 125 . VAL . 17183 1 126 . GLU . 17183 1 127 . SER . 17183 1 128 . ARG . 17183 1 129 . GLN . 17183 1 130 . ALA . 17183 1 131 . GLN . 17183 1 132 . ASP . 17183 1 133 . LEU . 17183 1 134 . ALA . 17183 1 135 . ARG . 17183 1 136 . SER . 17183 1 137 . TYR . 17183 1 138 . GLY . 17183 1 139 . ILE . 17183 1 140 . PRO . 17183 1 141 . TYR . 17183 1 142 . ILE . 17183 1 143 . GLU . 17183 1 144 . THR . 17183 1 145 . SER . 17183 1 146 . ALA . 17183 1 147 . LYS . 17183 1 148 . THR . 17183 1 149 . ARG . 17183 1 150 . GLN . 17183 1 151 . GLY . 17183 1 152 . VAL . 17183 1 153 . GLU . 17183 1 154 . ASP . 17183 1 155 . ALA . 17183 1 156 . PHE . 17183 1 157 . TYR . 17183 1 158 . THR . 17183 1 159 . LEU . 17183 1 160 . VAL . 17183 1 161 . ARG . 17183 1 162 . GLU . 17183 1 163 . ILE . 17183 1 164 . ARG . 17183 1 165 . GLN . 17183 1 166 . HIS . 17183 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17183 1 . THR 2 2 17183 1 . GLU 3 3 17183 1 . TYR 4 4 17183 1 . LYS 5 5 17183 1 . LEU 6 6 17183 1 . VAL 7 7 17183 1 . VAL 8 8 17183 1 . VAL 9 9 17183 1 . GLY 10 10 17183 1 . ALA 11 11 17183 1 . GLY 12 12 17183 1 . GLY 13 13 17183 1 . VAL 14 14 17183 1 . GLY 15 15 17183 1 . LYS 16 16 17183 1 . SER 17 17 17183 1 . ALA 18 18 17183 1 . LEU 19 19 17183 1 . THR 20 20 17183 1 . ILE 21 21 17183 1 . GLN 22 22 17183 1 . LEU 23 23 17183 1 . ILE 24 24 17183 1 . GLN 25 25 17183 1 . ASN 26 26 17183 1 . HIS 27 27 17183 1 . PHE 28 28 17183 1 . VAL 29 29 17183 1 . ASP 30 30 17183 1 . GLU 31 31 17183 1 . TYR 32 32 17183 1 . ASP 33 33 17183 1 . PRO 34 34 17183 1 . THR 35 35 17183 1 . ILE 36 36 17183 1 . GLU 37 37 17183 1 . ASP 38 38 17183 1 . SER 39 39 17183 1 . TYR 40 40 17183 1 . ARG 41 41 17183 1 . LYS 42 42 17183 1 . GLN 43 43 17183 1 . VAL 44 44 17183 1 . VAL 45 45 17183 1 . ILE 46 46 17183 1 . ASP 47 47 17183 1 . GLY 48 48 17183 1 . GLU 49 49 17183 1 . THR 50 50 17183 1 . CYS 51 51 17183 1 . LEU 52 52 17183 1 . LEU 53 53 17183 1 . ASP 54 54 17183 1 . ILE 55 55 17183 1 . LEU 56 56 17183 1 . ASP 57 57 17183 1 . THR 58 58 17183 1 . ALA 59 59 17183 1 . GLY 60 60 17183 1 . GLN 61 61 17183 1 . GLU 62 62 17183 1 . GLU 63 63 17183 1 . TYR 64 64 17183 1 . SER 65 65 17183 1 . ALA 66 66 17183 1 . MET 67 67 17183 1 . ARG 68 68 17183 1 . ASP 69 69 17183 1 . GLN 70 70 17183 1 . TYR 71 71 17183 1 . MET 72 72 17183 1 . ARG 73 73 17183 1 . THR 74 74 17183 1 . GLY 75 75 17183 1 . GLU 76 76 17183 1 . GLY 77 77 17183 1 . PHE 78 78 17183 1 . LEU 79 79 17183 1 . CYS 80 80 17183 1 . VAL 81 81 17183 1 . PHE 82 82 17183 1 . ALA 83 83 17183 1 . ILE 84 84 17183 1 . ASN 85 85 17183 1 . ASN 86 86 17183 1 . THR 87 87 17183 1 . LYS 88 88 17183 1 . SER 89 89 17183 1 . PHE 90 90 17183 1 . GLU 91 91 17183 1 . ASP 92 92 17183 1 . ILE 93 93 17183 1 . HIS 94 94 17183 1 . GLN 95 95 17183 1 . TYR 96 96 17183 1 . ARG 97 97 17183 1 . GLU 98 98 17183 1 . GLN 99 99 17183 1 . ILE 100 100 17183 1 . LYS 101 101 17183 1 . ARG 102 102 17183 1 . VAL 103 103 17183 1 . LYS 104 104 17183 1 . ASP 105 105 17183 1 . SER 106 106 17183 1 . ASP 107 107 17183 1 . ASP 108 108 17183 1 . VAL 109 109 17183 1 . PRO 110 110 17183 1 . MET 111 111 17183 1 . VAL 112 112 17183 1 . LEU 113 113 17183 1 . VAL 114 114 17183 1 . GLY 115 115 17183 1 . ASN 116 116 17183 1 . LYS 117 117 17183 1 . CYS 118 118 17183 1 . ASP 119 119 17183 1 . LEU 120 120 17183 1 . ALA 121 121 17183 1 . ALA 122 122 17183 1 . ARG 123 123 17183 1 . THR 124 124 17183 1 . VAL 125 125 17183 1 . GLU 126 126 17183 1 . SER 127 127 17183 1 . ARG 128 128 17183 1 . GLN 129 129 17183 1 . ALA 130 130 17183 1 . GLN 131 131 17183 1 . ASP 132 132 17183 1 . LEU 133 133 17183 1 . ALA 134 134 17183 1 . ARG 135 135 17183 1 . SER 136 136 17183 1 . TYR 137 137 17183 1 . GLY 138 138 17183 1 . ILE 139 139 17183 1 . PRO 140 140 17183 1 . TYR 141 141 17183 1 . ILE 142 142 17183 1 . GLU 143 143 17183 1 . THR 144 144 17183 1 . SER 145 145 17183 1 . ALA 146 146 17183 1 . LYS 147 147 17183 1 . THR 148 148 17183 1 . ARG 149 149 17183 1 . GLN 150 150 17183 1 . GLY 151 151 17183 1 . VAL 152 152 17183 1 . GLU 153 153 17183 1 . ASP 154 154 17183 1 . ALA 155 155 17183 1 . PHE 156 156 17183 1 . TYR 157 157 17183 1 . THR 158 158 17183 1 . LEU 159 159 17183 1 . VAL 160 160 17183 1 . ARG 161 161 17183 1 . GLU 162 162 17183 1 . ILE 163 163 17183 1 . ARG 164 164 17183 1 . GLN 165 165 17183 1 . HIS 166 166 17183 1 stop_ save_ save_MG _Entity.Sf_category entity _Entity.Sf_framecode MG _Entity.Entry_ID 17183 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name MG _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID MG _Entity.Nonpolymer_comp_label $chem_comp_MG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MG . 17183 2 stop_ save_ save_GNP _Entity.Sf_category entity _Entity.Sf_framecode GNP _Entity.Entry_ID 17183 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name GNP _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID GNP _Entity.Nonpolymer_comp_label $chem_comp_GNP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GNP . 17183 3 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17183 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Ras . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17183 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 17183 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Ras . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . ns . . . . . . 17183 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 17183 _Chem_comp.ID MG _Chem_comp.Provenance . _Chem_comp.Name 'MAGNESIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code MG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MG _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Mg _Chem_comp.Formula_weight 24.305 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jan 11 16:12:08 2012 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Mg/q+2 InChI InChI 1.03 17183 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 17183 MG [Mg++] SMILES CACTVS 3.341 17183 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 17183 MG [Mg+2] SMILES ACDLabs 10.04 17183 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 17183 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17183 MG stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID magnesium 'SYSTEMATIC NAME' ACDLabs 10.04 17183 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17183 MG stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID MG . MG . . MG . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 17183 MG stop_ save_ save_chem_comp_GNP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GNP _Chem_comp.Entry_ID 17183 _Chem_comp.ID GNP _Chem_comp.Provenance . _Chem_comp.Name 'PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code GNP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces GTN _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code GNP _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H17 N6 O13 P3' _Chem_comp.Formula_weight 522.196 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1CTQ _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jan 11 16:13:01 2012 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N SMILES 'OpenEye OEToolkits' 1.5.0 17183 GNP c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17183 GNP InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1 InChI InChI 1.03 17183 GNP NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 17183 GNP NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 17183 GNP O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O SMILES ACDLabs 10.04 17183 GNP UQABYHGXWYXDTK-UUOKFMHZSA-N InChIKey InChI 1.03 17183 GNP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '[[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17183 GNP 5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]guanosine 'SYSTEMATIC NAME' ACDLabs 10.04 17183 GNP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID PG . PG . . P . . N 0 . . . . no no . . . . 4.935 . 31.507 . 21.691 . -1.231 -0.295 7.212 1 . 17183 GNP O1G . O1G . . O . . N 0 . . . . no no . . . . 4.899 . 32.144 . 23.047 . -1.759 1.078 7.063 2 . 17183 GNP O2G . O2G . . O . . N 0 . . . . no no . . . . 4.129 . 32.343 . 20.710 . -2.158 -1.118 8.240 3 . 17183 GNP O3G . O3G . . O . . N 0 . . . . no no . . . . 4.556 . 30.076 . 21.650 . 0.274 -0.234 7.778 4 . 17183 GNP N3B . N3B . . N . . N 0 . . . . no no . . . . 6.611 . 31.682 . 21.302 . -1.236 -1.064 5.714 5 . 17183 GNP PB . PB . . P . . R 0 . . . . no no . . . . 7.202 . 31.350 . 19.762 . -0.252 -0.151 4.699 6 . 17183 GNP O1B . O1B . . O . . N 0 . . . . no no . . . . 7.408 . 29.908 . 19.616 . -0.795 1.221 4.589 7 . 17183 GNP O2B . O2B . . O . . N 0 . . . . no no . . . . 6.425 . 32.127 . 18.752 . 1.237 -0.091 5.307 8 . 17183 GNP O3A . O3A . . O . . N 0 . . . . no no . . . . 8.690 . 32.006 . 19.856 . -0.209 -0.830 3.240 9 . 17183 GNP PA . PA . . P . . S 0 . . . . no no . . . . 9.197 . 33.390 . 19.367 . 0.744 0.089 2.326 10 . 17183 GNP O1A . O1A . . O . . N 0 . . . . no no . . . . 9.236 . 33.433 . 17.890 . 0.185 1.458 2.252 11 . 17183 GNP O2A . O2A . . O . . N 0 . . . . no no . . . . 8.532 . 34.468 . 20.185 . 2.216 0.145 2.974 12 . 17183 GNP O5' . O5' . . O . . N 0 . . . . no no . . . . 10.648 . 33.354 . 19.815 . 0.832 -0.534 0.845 13 . 17183 GNP C5' . C5' . . C . . N 0 . . . . no no . . . . 11.013 . 33.228 . 21.198 . 1.688 0.322 0.086 14 . 17183 GNP C4' . C4' . . C . . R 0 . . . . no no . . . . 12.433 . 33.663 . 21.389 . 1.815 -0.217 -1.339 15 . 17183 GNP O4' . O4' . . O . . N 0 . . . . no no . . . . 13.401 . 32.943 . 20.714 . 0.524 -0.237 -1.986 16 . 17183 GNP C3' . C3' . . C . . S 0 . . . . no no . . . . 12.657 . 35.142 . 20.956 . 2.674 0.734 -2.202 17 . 17183 GNP O3' . O3' . . O . . N 0 . . . . no no . . . . 13.626 . 35.786 . 21.804 . 4.018 0.258 -2.285 18 . 17183 GNP C2' . C2' . . C . . R 0 . . . . no no . . . . 13.257 . 34.966 . 19.546 . 1.997 0.695 -3.592 19 . 17183 GNP O2' . O2' . . O . . N 0 . . . . no no . . . . 14.067 . 36.035 . 19.166 . 2.904 0.196 -4.577 20 . 17183 GNP C1' . C1' . . C . . R 0 . . . . no no . . . . 14.116 . 33.758 . 19.817 . 0.808 -0.272 -3.402 21 . 17183 GNP N9 . N9 . . N . . N 0 . . . . yes no . . . . 14.351 . 32.999 . 18.572 . -0.352 0.188 -4.166 22 . 17183 GNP C8 . C8 . . C . . N 0 . . . . yes no . . . . 13.285 . 32.569 . 17.679 . -1.315 1.051 -3.730 23 . 17183 GNP N7 . N7 . . N . . N 0 . . . . yes no . . . . 13.785 . 31.834 . 16.715 . -2.196 1.240 -4.668 24 . 17183 GNP C5 . C5 . . C . . N 0 . . . . yes no . . . . 15.262 . 31.974 . 16.869 . -1.853 0.512 -5.759 25 . 17183 GNP C6 . C6 . . C . . N 0 . . . . yes no . . . . 16.309 . 31.355 . 16.084 . -2.423 0.330 -7.041 26 . 17183 GNP O6 . O6 . . O . . N 0 . . . . no no . . . . 16.242 . 30.767 . 15.067 . -3.453 0.902 -7.354 27 . 17183 GNP N1 . N1 . . N . . N 0 . . . . yes no . . . . 17.523 . 31.709 . 16.581 . -1.794 -0.489 -7.912 28 . 17183 GNP C2 . C2 . . C . . N 0 . . . . yes no . . . . 17.576 . 32.330 . 17.793 . -0.646 -1.129 -7.549 29 . 17183 GNP N2 . N2 . . N . . N 0 . . . . no no . . . . 18.953 . 32.527 . 18.141 . -0.033 -1.960 -8.453 30 . 17183 GNP N3 . N3 . . N . . N 0 . . . . yes no . . . . 16.717 . 32.788 . 18.612 . -0.107 -0.968 -6.361 31 . 17183 GNP C4 . C4 . . C . . N 0 . . . . yes no . . . . 15.526 . 32.598 . 18.035 . -0.670 -0.168 -5.449 32 . 17183 GNP HOG2 . HOG2 . . H . . N 0 . . . . no no . . . . 4.151 . 31.939 . 19.850 . -2.127 -0.645 9.083 33 . 17183 GNP HOG3 . HOG3 . . H . . N 0 . . . . no no . . . . 4.578 . 29.672 . 20.790 . 0.579 -1.147 7.860 34 . 17183 GNP HNB3 . HNB3 . . H . . N 0 . . . . no no . . . . 7.146 . 31.125 . 21.968 . -2.175 -0.988 5.353 35 . 17183 GNP HOB2 . HOB2 . . H . . N 0 . . . . no no . . . . 6.758 . 31.939 . 17.882 . 1.553 -1.004 5.362 36 . 17183 GNP HOA2 . HOA2 . . H . . N 0 . . . . no no . . . . 8.842 . 35.314 . 19.885 . 2.543 -0.764 3.004 37 . 17183 GNP H5'2 . H5'2 . . H . . N 0 . . . . no no . . . . 10.312 . 33.778 . 21.868 . 1.265 1.326 0.058 38 . 17183 GNP H5'1 . H5'1 . . H . . N 0 . . . . no no . . . . 10.833 . 32.198 . 21.586 . 2.673 0.356 0.551 39 . 17183 GNP H4' . H4' . . H . . N 0 . . . . no no . . . . 12.560 . 33.493 . 22.483 . 2.251 -1.216 -1.329 40 . 17183 GNP H3' . H3' . . H . . N 0 . . . . no no . . . . 11.732 . 35.763 . 21.003 . 2.652 1.744 -1.793 41 . 17183 GNP HO3' . HO3' . . H . . N 0 . . . . no no . . . . 13.762 . 36.688 . 21.539 . 4.505 0.889 -2.833 42 . 17183 GNP H2' . H2' . . H . . N 0 . . . . no no . . . . 12.500 . 34.887 . 18.730 . 1.639 1.686 -3.871 43 . 17183 GNP HO2' . HO2' . . H . . N 0 . . . . no no . . . . 14.436 . 35.926 . 18.297 . 3.651 0.810 -4.606 44 . 17183 GNP H1' . H1' . . H . . N 0 . . . . no no . . . . 15.102 . 34.070 . 20.230 . 1.087 -1.281 -3.708 45 . 17183 GNP H8 . H8 . . H . . N 0 . . . . no no . . . . 12.203 . 32.779 . 17.728 . -1.341 1.509 -2.752 46 . 17183 GNP HN1 . HN1 . . H . . N 0 . . . . no no . . . . 18.375 . 31.513 . 16.056 . -2.166 -0.630 -8.797 47 . 17183 GNP HN21 . HN21 . . H . . N 0 . . . . no no . . . . 18.992 . 32.991 . 19.048 . 0.786 -2.419 -8.210 48 . 17183 GNP HN22 . HN22 . . H . . N 0 . . . . no no . . . . 19.471 . 33.029 . 17.420 . -0.421 -2.092 -9.332 49 . 17183 GNP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PG O1G no N 1 . 17183 GNP 2 . SING PG O2G no N 2 . 17183 GNP 3 . SING PG O3G no N 3 . 17183 GNP 4 . SING PG N3B no N 4 . 17183 GNP 5 . SING O2G HOG2 no N 5 . 17183 GNP 6 . SING O3G HOG3 no N 6 . 17183 GNP 7 . SING N3B PB no N 7 . 17183 GNP 8 . SING N3B HNB3 no N 8 . 17183 GNP 9 . DOUB PB O1B no N 9 . 17183 GNP 10 . SING PB O2B no N 10 . 17183 GNP 11 . SING PB O3A no N 11 . 17183 GNP 12 . SING O2B HOB2 no N 12 . 17183 GNP 13 . SING O3A PA no N 13 . 17183 GNP 14 . DOUB PA O1A no N 14 . 17183 GNP 15 . SING PA O2A no N 15 . 17183 GNP 16 . SING PA O5' no N 16 . 17183 GNP 17 . SING O2A HOA2 no N 17 . 17183 GNP 18 . SING O5' C5' no N 18 . 17183 GNP 19 . SING C5' C4' no N 19 . 17183 GNP 20 . SING C5' H5'2 no N 20 . 17183 GNP 21 . SING C5' H5'1 no N 21 . 17183 GNP 22 . SING C4' O4' no N 22 . 17183 GNP 23 . SING C4' C3' no N 23 . 17183 GNP 24 . SING C4' H4' no N 24 . 17183 GNP 25 . SING O4' C1' no N 25 . 17183 GNP 26 . SING C3' O3' no N 26 . 17183 GNP 27 . SING C3' C2' no N 27 . 17183 GNP 28 . SING C3' H3' no N 28 . 17183 GNP 29 . SING O3' HO3' no N 29 . 17183 GNP 30 . SING C2' O2' no N 30 . 17183 GNP 31 . SING C2' C1' no N 31 . 17183 GNP 32 . SING C2' H2' no N 32 . 17183 GNP 33 . SING O2' HO2' no N 33 . 17183 GNP 34 . SING C1' N9 no N 34 . 17183 GNP 35 . SING C1' H1' no N 35 . 17183 GNP 36 . SING N9 C8 yes N 36 . 17183 GNP 37 . SING N9 C4 yes N 37 . 17183 GNP 38 . DOUB C8 N7 yes N 38 . 17183 GNP 39 . SING C8 H8 no N 39 . 17183 GNP 40 . SING N7 C5 yes N 40 . 17183 GNP 41 . SING C5 C6 yes N 41 . 17183 GNP 42 . DOUB C5 C4 yes N 42 . 17183 GNP 43 . DOUB C6 O6 no N 43 . 17183 GNP 44 . SING C6 N1 yes N 44 . 17183 GNP 45 . SING N1 C2 yes N 45 . 17183 GNP 46 . SING N1 HN1 no N 46 . 17183 GNP 47 . SING C2 N2 no N 47 . 17183 GNP 48 . DOUB C2 N3 yes N 48 . 17183 GNP 49 . SING N2 HN21 no N 49 . 17183 GNP 50 . SING N2 HN22 no N 50 . 17183 GNP 51 . SING N3 C4 yes N 51 . 17183 GNP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17183 _Sample.ID 1 _Sample.Type membrane _Sample.Sub_type . _Sample.Details 'Ras bound to Mg' _Sample.Aggregate_sample_number . _Sample.Solvent_system H2O _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Ras 'natural abundance' . . 1 $Ras . . 1.5 . . mM . . . . 17183 1 2 MG 'natural abundance' . . 2 $MG . . 1.5 . . mM . . . . 17183 1 3 GppNHp 'natural abundance' . . 3 $GNP . . 1.5 . . mM . . . . 17183 1 4 Tris-HCl 'natural abundance' . . . . . . 50 . . mM . . . . 17183 1 5 'magnesium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 17183 1 6 dithioerythritiol 'natural abundance' . . . . . . 5 . . mM . . . . 17183 1 7 'polyethylene glycol 400' 'natural abundance' . . . . . . 56 . . % . . . . 17183 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17183 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.6 . pH 17183 1 pressure ambient . atm 17183 1 temperature 278 . K 17183 1 stop_ save_ ############################ # Computer software used # ############################ save_SIMPSON _Software.Sf_category software _Software.Sf_framecode SIMPSON _Software.Entry_ID 17183 _Software.ID 1 _Software.Name SIMPSON _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bak, M., Rasmussen, J. T. & Nielsen, N. C. (2000).' . . 17183 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'numerical spectra simulations' 17183 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17183 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 300 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17183 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 300 . . . 17183 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 17183 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '31P NMR' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17183 1 stop_ save_ save_Chemical_rate_list _Chemical_rate_list.Sf_category chemical_rates _Chemical_rate_list.Sf_framecode Chemical_rate_list _Chemical_rate_list.Entry_ID 17183 _Chemical_rate_list.ID 1 _Chemical_rate_list.Sample_condition_list_ID 1 _Chemical_rate_list.Sample_condition_list_label $sample_conditions_1 _Chemical_rate_list.Details . _Chemical_rate_list.Text_data_format . _Chemical_rate_list.Text_data . loop_ _Chemical_rate_experiment.Experiment_ID _Chemical_rate_experiment.Experiment_name _Chemical_rate_experiment.Sample_ID _Chemical_rate_experiment.Sample_label _Chemical_rate_experiment.Sample_state _Chemical_rate_experiment.Entry_ID _Chemical_rate_experiment.Chemical_rate_list_ID 1 '31P NMR' 1 $sample_1 solid 17183 1 stop_ loop_ _Chemical_rate_software.Software_ID _Chemical_rate_software.Software_label _Chemical_rate_software.Method_ID _Chemical_rate_software.Method_label _Chemical_rate_software.Entry_ID _Chemical_rate_software.Chemical_rate_list_ID 1 $SIMPSON . . 17183 1 stop_ loop_ _Chemical_rate.ID _Chemical_rate.Assembly_ID _Chemical_rate.Assembly_atom_ID _Chemical_rate.Entity_assembly_ID _Chemical_rate.Entity_ID _Chemical_rate.Comp_index_ID _Chemical_rate.Seq_ID _Chemical_rate.Comp_ID _Chemical_rate.Atom_ID _Chemical_rate.Atom_type _Chemical_rate.Atom_isotope_number _Chemical_rate.Val_type _Chemical_rate.Val _Chemical_rate.Val_min _Chemical_rate.Val_max _Chemical_rate.Val_err _Chemical_rate.Val_units _Chemical_rate.Resonance_ID _Chemical_rate.Auth_entity_assembly_ID _Chemical_rate.Auth_seq_ID _Chemical_rate.Auth_comp_ID _Chemical_rate.Auth_atom_ID _Chemical_rate.Entry_ID _Chemical_rate.Chemical_rate_list_ID 1 1 . 1 1 . . . . . . kex 900 . . . s-1 . . . . . 17183 1 stop_ save_