data_16420 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16420 _Entry.Title ; Protein stablilization by specific binding of guanidinium to a functional arginine-binding surface on an SH3 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-07-23 _Entry.Accession_date 2009-07-23 _Entry.Last_release_date 2015-09-18 _Entry.Original_release_date 2015-09-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _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 Arash Zarrine-Afsar . . . 16420 2 Anthony Mittermaier . . . 16420 3 Lewis Kay . E. . 16420 4 Alan Davidson . R. . 16420 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 . . 2015-09-18 . original BMRB . 16420 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16420 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16373478 _Citation.Full_citation . _Citation.Title ; Protein stabilization by specific binding of guanidinium to a functional arginine-binding surface on an SH3 domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 1 _Citation.Journal_issue 15 _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 162 _Citation.Page_last 170 _Citation.Year 2006 _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 Arash Zarrine-Afsar . . . 16420 1 2 Anthony Mittermaier . . . 16420 1 3 Lewis Kay . E. . 16420 1 4 Alan Davidson . R. . 16420 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16420 _Assembly.ID 1 _Assembly.Name 'Fyn_SH3 GuHCl complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'Fyn SH3 domain' 1 $Fyn_SH3_domain A . yes native no no . . . 16420 1 2 'Guanidium chloride' 2 $GuHCl A . yes native no no . . . 16420 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Fyn_SH3_domain _Entity.Sf_category entity _Entity.Sf_framecode Fyn_SH3_domain _Entity.Entry_ID 16420 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Fyn_SH3_domain _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 ; VTLFVALYDYEARTEDDLSF HKGEKFQILNSSEGDWWEAR SLTTGETGYIPSNYVAPVD ; _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 59 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6733.33 _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 yes PDB 1shf . "FYN TYROSINE KINASE SH3 DOMAIN" . . . . . . . . . . . . . . 16420 1 2 no PDB 1A0N . "Nmr Study Of The Sh3 Domain From Fyn Proto-Oncogene Tyrosine Kinase Complexed With The Synthetic Peptide P2l Corresponding To R" . . . . . 100.00 69 100.00 100.00 8.50e-35 . . . . 16420 1 3 no PDB 1AVZ . "V-1 Nef Protein In Complex With Wild Type Fyn Sh3 Domain" . . . . . 96.61 57 100.00 100.00 3.64e-33 . . . . 16420 1 4 no PDB 1AZG . "Nmr Study Of The Sh3 Domain From Fyn Proto-Oncogene Tyrosine Kinase Kinase Complexed With The Synthetic Peptide P2l Correspondi" . . . . . 100.00 67 100.00 100.00 8.25e-35 . . . . 16420 1 5 no PDB 1EFN . "Hiv-1 Nef Protein In Complex With R96i Mutant Fyn Sh3 Domain" . . . . . 96.61 59 98.25 98.25 4.58e-32 . . . . 16420 1 6 no PDB 1FYN . Phosphotransferase . . . . . 100.00 62 100.00 100.00 1.59e-34 . . . . 16420 1 7 no PDB 1G83 . "Crystal Structure Of Fyn Sh3-Sh2" . . . . . 100.00 165 100.00 100.00 7.33e-34 . . . . 16420 1 8 no PDB 1M27 . "Crystal Structure Of SapFYNSH3SLAM TERNARY COMPLEX" . . . . . 100.00 61 100.00 100.00 1.16e-34 . . . . 16420 1 9 no PDB 1NYF . "Nmr Study Of The Sh3 Domain From Fyn Proto-Oncogene Tyrosine Kinase, Minimized Average (Probmap) Structure" . . . . . 100.00 67 100.00 100.00 8.25e-35 . . . . 16420 1 10 no PDB 1NYG . "Nmr Study Of The Sh3 Domain From Fyn Proto-Oncogene Tyrosine Kinase, Family Of 20 Structures" . . . . . 100.00 67 100.00 100.00 8.25e-35 . . . . 16420 1 11 no PDB 1SHF . "Crystal Structure Of The Sh3 Domain In Human Fyn; Comparison Of The Three-Dimensional Structures Of Sh3 Domains In Tyrosine Kin" . . . . . 100.00 59 100.00 100.00 1.34e-34 . . . . 16420 1 12 no PDB 1ZBJ . "Inferential Structure Determination Of The Fyn Sh3 Domain Using Noesy Data From A 15n,H2 Enriched Protein" . . . . . 100.00 59 100.00 100.00 1.34e-34 . . . . 16420 1 13 no PDB 3H0F . "Crystal Structure Of The Human Fyn Sh3 R96w Mutant" . . . . . 100.00 73 98.31 98.31 4.31e-33 . . . . 16420 1 14 no PDB 3H0H . "Human Fyn Sh3 Domain R96i Mutant, Crystal Form I" . . . . . 100.00 73 98.31 98.31 1.71e-33 . . . . 16420 1 15 no PDB 3H0I . "Human Fyn Sh3 Domain R96i Mutant, Crystal Form Ii" . . . . . 100.00 73 98.31 98.31 1.71e-33 . . . . 16420 1 16 no PDB 3UA6 . "Crystal Structure Of The Human Fyn Sh3 Domain" . . . . . 100.00 64 100.00 100.00 1.03e-34 . . . . 16420 1 17 no PDB 3UA7 . "Crystal Structure Of The Human Fyn Sh3 Domain In Complex With A Peptide From The Hepatitis C Virus Ns5a-protein" . . . . . 100.00 64 100.00 100.00 1.03e-34 . . . . 16420 1 18 no PDB 3UF4 . "Crystal Structure Of A Sh3 And Sh2 Domains Of Fyn Protein (proto- Concogene Tyrosine-protein Kinase Fyn) From Mus Musculus At 1" . . . . . 100.00 164 100.00 100.00 1.08e-33 . . . . 16420 1 19 no PDB 4D8D . "Crystal Structure Of Hiv-1 Nef Fyn-sh3 R96w Variant" . . . . . 98.31 58 98.28 98.28 2.72e-32 . . . . 16420 1 20 no PDB 4EIK . "Crystal Structure Of The Human Fyn Sh3 Domain In Complex With The Synthetic Peptide Vsl12" . . . . . 100.00 64 100.00 100.00 1.03e-34 . . . . 16420 1 21 no DBJ BAE33766 . "unnamed protein product [Mus musculus]" . . . . . 100.00 537 100.00 100.00 7.74e-32 . . . . 16420 1 22 no DBJ BAE42585 . "unnamed protein product [Mus musculus]" . . . . . 100.00 534 100.00 100.00 6.71e-32 . . . . 16420 1 23 no DBJ BAG70107 . "protein-tyrosine kinase fyn isoform a [Homo sapiens]" . . . . . 100.00 537 100.00 100.00 7.58e-32 . . . . 16420 1 24 no DBJ BAG70240 . "protein-tyrosine kinase fyn isoform a [Homo sapiens]" . . . . . 100.00 537 100.00 100.00 7.58e-32 . . . . 16420 1 25 no DBJ BAI46902 . "FYN oncogene related to SRC, FGR, YES [synthetic construct]" . . . . . 100.00 537 100.00 100.00 7.58e-32 . . . . 16420 1 26 no EMBL CAA37025 . "c-fyn, fyn proto-oncogene [Gallus gallus]" . . . . . 100.00 534 98.31 98.31 8.07e-31 . . . . 16420 1 27 no EMBL CAC44028 . "fyn protein [Hylobates sp.]" . . . . . 100.00 534 100.00 100.00 6.71e-32 . . . . 16420 1 28 no GB AAA36615 . "src-like tyrosine kinase (put.); putative [Homo sapiens]" . . . . . 100.00 537 100.00 100.00 7.58e-32 . . . . 16420 1 29 no GB AAA37644 . "p59fyn [Mus musculus]" . . . . . 100.00 534 100.00 100.00 7.57e-32 . . . . 16420 1 30 no GB AAA82942 . "proto-oncogene FYN [Rattus norvegicus]" . . . . . 100.00 537 100.00 100.00 7.74e-32 . . . . 16420 1 31 no GB AAB09568 . "Fyn(T) [Mus musculus]" . . . . . 100.00 534 100.00 100.00 7.57e-32 . . . . 16420 1 32 no GB AAB33113 . "tyrosine kinase p59fyn(T) [Homo sapiens]" . . . . . 100.00 534 100.00 100.00 6.98e-32 . . . . 16420 1 33 no REF NP_001071440 . "tyrosine-protein kinase Fyn [Bos taurus]" . . . . . 100.00 537 100.00 100.00 7.90e-32 . . . . 16420 1 34 no REF NP_001073675 . "tyrosine-protein kinase Fyn [Sus scrofa]" . . . . . 100.00 537 100.00 100.00 7.36e-32 . . . . 16420 1 35 no REF NP_001116364 . "tyrosine-protein kinase Fyn isoform b [Mus musculus]" . . . . . 100.00 534 100.00 100.00 7.57e-32 . . . . 16420 1 36 no REF NP_001116365 . "tyrosine-protein kinase Fyn isoform a [Mus musculus]" . . . . . 100.00 537 100.00 100.00 7.74e-32 . . . . 16420 1 37 no REF NP_002028 . "tyrosine-protein kinase Fyn isoform a [Homo sapiens]" . . . . . 100.00 537 100.00 100.00 7.58e-32 . . . . 16420 1 38 no SP A0JNB0 . "RecName: Full=Tyrosine-protein kinase Fyn; AltName: Full=Proto-oncogene c-Fyn; AltName: Full=p59-Fyn" . . . . . 100.00 537 100.00 100.00 7.90e-32 . . . . 16420 1 39 no SP A1Y2K1 . "RecName: Full=Tyrosine-protein kinase Fyn; AltName: Full=Proto-oncogene c-Fyn; AltName: Full=p59-Fyn" . . . . . 100.00 537 100.00 100.00 7.36e-32 . . . . 16420 1 40 no SP P06241 . "RecName: Full=Tyrosine-protein kinase Fyn; AltName: Full=Proto-oncogene Syn; AltName: Full=Proto-oncogene c-Fyn; AltName: Full=" . . . . . 100.00 537 100.00 100.00 7.58e-32 . . . . 16420 1 41 no SP P39688 . "RecName: Full=Tyrosine-protein kinase Fyn; AltName: Full=Proto-oncogene c-Fyn; AltName: Full=p59-Fyn" . . . . . 100.00 537 100.00 100.00 7.74e-32 . . . . 16420 1 42 no SP Q05876 . "RecName: Full=Tyrosine-protein kinase Fyn; AltName: Full=Proto-oncogene c-Fyn; AltName: Full=p59-Fyn" . . . . . 100.00 534 98.31 98.31 8.07e-31 . . . . 16420 1 43 no TPG DAA26259 . "TPA: proto-oncogene tyrosine-protein kinase Fyn [Bos taurus]" . . . . . 100.00 537 100.00 100.00 7.90e-32 . . . . 16420 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 . VAL . 16420 1 2 . THR . 16420 1 3 . LEU . 16420 1 4 . PHE . 16420 1 5 . VAL . 16420 1 6 . ALA . 16420 1 7 . LEU . 16420 1 8 . TYR . 16420 1 9 . ASP . 16420 1 10 . TYR . 16420 1 11 . GLU . 16420 1 12 . ALA . 16420 1 13 . ARG . 16420 1 14 . THR . 16420 1 15 . GLU . 16420 1 16 . ASP . 16420 1 17 . ASP . 16420 1 18 . LEU . 16420 1 19 . SER . 16420 1 20 . PHE . 16420 1 21 . HIS . 16420 1 22 . LYS . 16420 1 23 . GLY . 16420 1 24 . GLU . 16420 1 25 . LYS . 16420 1 26 . PHE . 16420 1 27 . GLN . 16420 1 28 . ILE . 16420 1 29 . LEU . 16420 1 30 . ASN . 16420 1 31 . SER . 16420 1 32 . SER . 16420 1 33 . GLU . 16420 1 34 . GLY . 16420 1 35 . ASP . 16420 1 36 . TRP . 16420 1 37 . TRP . 16420 1 38 . GLU . 16420 1 39 . ALA . 16420 1 40 . ARG . 16420 1 41 . SER . 16420 1 42 . LEU . 16420 1 43 . THR . 16420 1 44 . THR . 16420 1 45 . GLY . 16420 1 46 . GLU . 16420 1 47 . THR . 16420 1 48 . GLY . 16420 1 49 . TYR . 16420 1 50 . ILE . 16420 1 51 . PRO . 16420 1 52 . SER . 16420 1 53 . ASN . 16420 1 54 . TYR . 16420 1 55 . VAL . 16420 1 56 . ALA . 16420 1 57 . PRO . 16420 1 58 . VAL . 16420 1 59 . ASP . 16420 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 . VAL 1 1 16420 1 . THR 2 2 16420 1 . LEU 3 3 16420 1 . PHE 4 4 16420 1 . VAL 5 5 16420 1 . ALA 6 6 16420 1 . LEU 7 7 16420 1 . TYR 8 8 16420 1 . ASP 9 9 16420 1 . TYR 10 10 16420 1 . GLU 11 11 16420 1 . ALA 12 12 16420 1 . ARG 13 13 16420 1 . THR 14 14 16420 1 . GLU 15 15 16420 1 . ASP 16 16 16420 1 . ASP 17 17 16420 1 . LEU 18 18 16420 1 . SER 19 19 16420 1 . PHE 20 20 16420 1 . HIS 21 21 16420 1 . LYS 22 22 16420 1 . GLY 23 23 16420 1 . GLU 24 24 16420 1 . LYS 25 25 16420 1 . PHE 26 26 16420 1 . GLN 27 27 16420 1 . ILE 28 28 16420 1 . LEU 29 29 16420 1 . ASN 30 30 16420 1 . SER 31 31 16420 1 . SER 32 32 16420 1 . GLU 33 33 16420 1 . GLY 34 34 16420 1 . ASP 35 35 16420 1 . TRP 36 36 16420 1 . TRP 37 37 16420 1 . GLU 38 38 16420 1 . ALA 39 39 16420 1 . ARG 40 40 16420 1 . SER 41 41 16420 1 . LEU 42 42 16420 1 . THR 43 43 16420 1 . THR 44 44 16420 1 . GLY 45 45 16420 1 . GLU 46 46 16420 1 . THR 47 47 16420 1 . GLY 48 48 16420 1 . TYR 49 49 16420 1 . ILE 50 50 16420 1 . PRO 51 51 16420 1 . SER 52 52 16420 1 . ASN 53 53 16420 1 . TYR 54 54 16420 1 . VAL 55 55 16420 1 . ALA 56 56 16420 1 . PRO 57 57 16420 1 . VAL 58 58 16420 1 . ASP 59 59 16420 1 stop_ save_ save_GuHCl _Entity.Sf_category entity _Entity.Sf_framecode GuHCl _Entity.Entry_ID 16420 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name GuHCl _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 no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label $chem_comp_GuHCl _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 . . . 16420 2 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 16420 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Fyn_SH3_domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 16420 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 16420 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Fyn_SH3_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Bl2l DE3 . n/a . . n/a . . . 16420 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_GuHCl _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GuHCl _Chem_comp.Entry_ID 16420 _Chem_comp.ID . _Chem_comp.Provenance . _Chem_comp.Name GuHCl _Chem_comp.Type . _Chem_comp.BMRB_code . _Chem_comp.PDB_code . _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _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 no _Chem_comp.Aromatic no _Chem_comp.Formula . _Chem_comp.Formula_weight 59.070 _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details Guanidinium-HCl _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16420 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'Fyn SH3 domain' '[U-100% 15N]' . . 1 $Fyn_SH3_domain . . 0.25 . . mM . . . . 16420 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16420 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 16420 1 4 EDTA 'natural abundance' . . . . . . 0.2 . . mM . . . . 16420 1 5 DSS 'natural abundance' . . . . . . 4 . . mM . . . . 16420 1 6 GuHCl 'natural abundance' . . 2 $GuHCl . . . 0 0.85 M . . . . 16420 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 16420 _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 7.0 . pH 16420 1 pressure 1 . atm 16420 1 temperature 298 . K 16420 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16420 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16420 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 16420 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 16420 _Software.ID 2 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16420 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 16420 2 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 16420 _Software.ID 3 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 16420 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16420 3 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 16420 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 16420 _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 Varian INOVA . 500 . . . 16420 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 16420 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16420 1 stop_ save_ save_binding_data _Binding_value_list.Sf_category binding_data _Binding_value_list.Sf_framecode binding_data _Binding_value_list.Entry_ID 16420 _Binding_value_list.ID 1 _Binding_value_list.Sample_condition_list_ID 1 _Binding_value_list.Sample_condition_list_label $sample_conditions_1 _Binding_value_list.Details . _Binding_value_list.Text_data_format . _Binding_value_list.Text_data . loop_ _Binding_experiment.Experiment_ID _Binding_experiment.Experiment_name _Binding_experiment.Sample_ID _Binding_experiment.Sample_label _Binding_experiment.Sample_state _Binding_experiment.Entry_ID _Binding_experiment.Binding_value_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 16420 1 stop_ loop_ _Binding_software.Software_ID _Binding_software.Software_label _Binding_software.Method_ID _Binding_software.Method_label _Binding_software.Entry_ID _Binding_software.Binding_value_list_ID 1 $NMRPipe . . 16420 1 2 $NMRDraw . . 16420 1 stop_ loop_ _Binding_result.ID _Binding_result.Experiment_ID _Binding_result.Assembly_ID _Binding_result.Atm_obs_assembly_atom_ID _Binding_result.Atm_obs_entity_assembly_ID _Binding_result.Atm_obs_entity_ID _Binding_result.Atm_obs_comp_index_ID _Binding_result.Atm_obs_seq_ID _Binding_result.Atm_obs_comp_ID _Binding_result.Atm_obs_atom_ID _Binding_result.Atm_obs_atom_type _Binding_result.Atm_obs_atom_isotope_number _Binding_result.Resonance_ID _Binding_result.Atm_obs_auth_entity_assembly_ID _Binding_result.Atm_obs_auth_seq_ID _Binding_result.Atm_obs_auth_comp_ID _Binding_result.Atm_obs_auth_atom_ID _Binding_result.Expt_observed_param _Binding_result.Val_type _Binding_result.Val _Binding_result.Val_err _Binding_result.Val_units _Binding_result.Entry_ID _Binding_result.Binding_value_list_ID 1 1 1 . 1 1 . . . . . . . . . . . 'chemical shifts' Kd 560 70 mM 16420 1 stop_ loop_ _Binding_partners.Binding_result_ID _Binding_partners.Assembly_ID _Binding_partners.Entity_assembly_ID _Binding_partners.Entity_assembly_name _Binding_partners.Entity_ID _Binding_partners.Entity_label _Binding_partners.Entry_ID _Binding_partners.Binding_value_list_ID 1 1 1 'Fyn SH3 domain' 1 $Fyn_SH3_domain 16420 1 1 1 2 'Guanidium chloride' 2 $GuHCl 16420 1 stop_ save_