data_16453 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16453 _Entry.Title ; Intramolecular Dynamics of Low Molecular Weight Protein Tyrosine Phosphatase in Monomer-Dimer Equilibrium Studied by NMR: A Model for Changes in Dynamics upon Target Binding ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-08-19 _Entry.Accession_date 2009-08-19 _Entry.Last_release_date 2010-03-08 _Entry.Original_release_date 2010-03-08 _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 Tomas Akerud . . . 16453 2 Eva Thulin . . . 16453 3 Robert 'Van Etten' . L. . 16453 4 Mikael Akke . . . 16453 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID binding_constants 1 16453 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'binding constants' 6 16453 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 . . 2010-03-08 2009-08-19 original author . 16453 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16453 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12215420 _Citation.Full_citation . _Citation.Title 'Intramolecular Dynamics of Low Molecular Weight Protein Tyrosine Phosphatase in Monomer-Dimer Equilibrium Studied by NMR: A Model for Changes in Dynamics upon Target Binding' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of Molecular Biology' _Citation.Journal_volume 322 _Citation.Journal_issue 1 _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 137 _Citation.Page_last 152 _Citation.Year 2002 _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 Tomas Akerud . . . 16453 1 2 Eva Thulin . . . 16453 1 3 Robert 'Van Etten' . L. . 16453 1 4 Mikael Akke . . . 16453 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16453 _Assembly.ID 1 _Assembly.Name LMW-PTP_Dimer _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _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 LMW-PTP1 1 $LMW-PTP A . yes native no no . . . 16453 1 2 LMW-PTP2 1 $LMW-PTP B . yes native no no . . . 16453 1 3 Phosphate1 2 $PO4 C . yes non-polymer no no . . . 16453 1 4 Phosphate2 2 $PO4 D . yes non-polymer no no . . . 16453 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LMW-PTP _Entity.Sf_category entity _Entity.Sf_framecode LMW-PTP _Entity.Entry_ID 16453 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name LMW-PTP _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 ; AEQVTKSVLFVCLGNICRSP IAEAVFRKLVTDQNISDNWV IDSGAVSDWNVGRSPDPRAV SCLRNHGINTAHKARQVTKE DFVTFDYILCMDESNLRDLN RKSNQVKNCRAKIELLGSYD PQKQLIIEDPYYGNDADFET VYQQCVRCCRAFLEKVR ; _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 157 _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 PDB 1BVH . "Solution Structure Of A Low Molecular Weight Protein Tyrosine Phosphatase" . . . . . 100.00 157 100.00 100.00 2.00e-111 . . . . 16453 1 2 no PDB 1C0E . "Active Site S19a Mutant Of Bovine Heart Phosphotyrosyl Phosphatase" . . . . . 100.00 157 99.36 100.00 4.44e-111 . . . . 16453 1 3 no PDB 1DG9 . "Crystal Structure Of Bovine Low Molecular Weight Ptpase Complexed With Hepes" . . . . . 100.00 157 100.00 100.00 2.00e-111 . . . . 16453 1 4 no PDB 1PHR . "The Crystal Structure Of A Low Molecular Phosphotyrosine Protein Phosphatase" . . . . . 100.00 157 100.00 100.00 2.00e-111 . . . . 16453 1 5 no PDB 1PNT . "Crystal Structure Of Bovine Heart Phosphotyrosyl Phosphatase At 2.2 Angstroms Resolution" . . . . . 100.00 157 100.00 100.00 2.00e-111 . . . . 16453 1 6 no PDB 1Z12 . "Crystal Structure Of Bovine Low Molecular Weight Ptpase Complexed With Vanadate" . . . . . 100.00 157 100.00 100.00 2.00e-111 . . . . 16453 1 7 no PDB 1Z13 . "Crystal Structure Of Bovine Low Molecular Weight Ptpase Complexed With Molybdate" . . . . . 100.00 157 100.00 100.00 2.00e-111 . . . . 16453 1 8 no GB AAC37328 . "acid phosphatase [Bos taurus]" . . . . . 100.00 158 100.00 100.00 1.15e-111 . . . . 16453 1 9 no REF NP_776403 . "low molecular weight phosphotyrosine protein phosphatase [Bos taurus]" . . . . . 100.00 158 100.00 100.00 1.15e-111 . . . . 16453 1 10 no REF XP_004004007 . "PREDICTED: low molecular weight phosphotyrosine protein phosphatase isoform X5 [Ovis aries]" . . . . . 100.00 158 98.09 99.36 5.32e-110 . . . . 16453 1 11 no REF XP_006062677 . "PREDICTED: low molecular weight phosphotyrosine protein phosphatase isoform X2 [Bubalus bubalis]" . . . . . 100.00 158 98.09 98.73 2.01e-110 . . . . 16453 1 12 no REF XP_010818256 . "PREDICTED: protein CC2D2B isoform X32 [Bos taurus]" . . . . . 100.00 496 97.45 98.73 1.63e-105 . . . . 16453 1 13 no REF XP_010824218 . "PREDICTED: protein CC2D2B isoform X7 [Bos taurus]" . . . . . 100.00 373 97.45 98.73 5.07e-107 . . . . 16453 1 14 no SP P11064 . "RecName: Full=Low molecular weight phosphotyrosine protein phosphatase; Short=LMW-PTP; Short=LMW-PTPase; AltName: Full=Low mole" . . . . . 100.00 158 100.00 100.00 1.15e-111 . . . . 16453 1 15 no TPG DAA33805 . "TPA: acid phosphatase 1, soluble [Bos taurus]" . . . . . 100.00 158 100.00 100.00 1.15e-111 . . . . 16453 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 . ALA . 16453 1 2 . GLU . 16453 1 3 . GLN . 16453 1 4 . VAL . 16453 1 5 . THR . 16453 1 6 . LYS . 16453 1 7 . SER . 16453 1 8 . VAL . 16453 1 9 . LEU . 16453 1 10 . PHE . 16453 1 11 . VAL . 16453 1 12 . CYS . 16453 1 13 . LEU . 16453 1 14 . GLY . 16453 1 15 . ASN . 16453 1 16 . ILE . 16453 1 17 . CYS . 16453 1 18 . ARG . 16453 1 19 . SER . 16453 1 20 . PRO . 16453 1 21 . ILE . 16453 1 22 . ALA . 16453 1 23 . GLU . 16453 1 24 . ALA . 16453 1 25 . VAL . 16453 1 26 . PHE . 16453 1 27 . ARG . 16453 1 28 . LYS . 16453 1 29 . LEU . 16453 1 30 . VAL . 16453 1 31 . THR . 16453 1 32 . ASP . 16453 1 33 . GLN . 16453 1 34 . ASN . 16453 1 35 . ILE . 16453 1 36 . SER . 16453 1 37 . ASP . 16453 1 38 . ASN . 16453 1 39 . TRP . 16453 1 40 . VAL . 16453 1 41 . ILE . 16453 1 42 . ASP . 16453 1 43 . SER . 16453 1 44 . GLY . 16453 1 45 . ALA . 16453 1 46 . VAL . 16453 1 47 . SER . 16453 1 48 . ASP . 16453 1 49 . TRP . 16453 1 50 . ASN . 16453 1 51 . VAL . 16453 1 52 . GLY . 16453 1 53 . ARG . 16453 1 54 . SER . 16453 1 55 . PRO . 16453 1 56 . ASP . 16453 1 57 . PRO . 16453 1 58 . ARG . 16453 1 59 . ALA . 16453 1 60 . VAL . 16453 1 61 . SER . 16453 1 62 . CYS . 16453 1 63 . LEU . 16453 1 64 . ARG . 16453 1 65 . ASN . 16453 1 66 . HIS . 16453 1 67 . GLY . 16453 1 68 . ILE . 16453 1 69 . ASN . 16453 1 70 . THR . 16453 1 71 . ALA . 16453 1 72 . HIS . 16453 1 73 . LYS . 16453 1 74 . ALA . 16453 1 75 . ARG . 16453 1 76 . GLN . 16453 1 77 . VAL . 16453 1 78 . THR . 16453 1 79 . LYS . 16453 1 80 . GLU . 16453 1 81 . ASP . 16453 1 82 . PHE . 16453 1 83 . VAL . 16453 1 84 . THR . 16453 1 85 . PHE . 16453 1 86 . ASP . 16453 1 87 . TYR . 16453 1 88 . ILE . 16453 1 89 . LEU . 16453 1 90 . CYS . 16453 1 91 . MET . 16453 1 92 . ASP . 16453 1 93 . GLU . 16453 1 94 . SER . 16453 1 95 . ASN . 16453 1 96 . LEU . 16453 1 97 . ARG . 16453 1 98 . ASP . 16453 1 99 . LEU . 16453 1 100 . ASN . 16453 1 101 . ARG . 16453 1 102 . LYS . 16453 1 103 . SER . 16453 1 104 . ASN . 16453 1 105 . GLN . 16453 1 106 . VAL . 16453 1 107 . LYS . 16453 1 108 . ASN . 16453 1 109 . CYS . 16453 1 110 . ARG . 16453 1 111 . ALA . 16453 1 112 . LYS . 16453 1 113 . ILE . 16453 1 114 . GLU . 16453 1 115 . LEU . 16453 1 116 . LEU . 16453 1 117 . GLY . 16453 1 118 . SER . 16453 1 119 . TYR . 16453 1 120 . ASP . 16453 1 121 . PRO . 16453 1 122 . GLN . 16453 1 123 . LYS . 16453 1 124 . GLN . 16453 1 125 . LEU . 16453 1 126 . ILE . 16453 1 127 . ILE . 16453 1 128 . GLU . 16453 1 129 . ASP . 16453 1 130 . PRO . 16453 1 131 . TYR . 16453 1 132 . TYR . 16453 1 133 . GLY . 16453 1 134 . ASN . 16453 1 135 . ASP . 16453 1 136 . ALA . 16453 1 137 . ASP . 16453 1 138 . PHE . 16453 1 139 . GLU . 16453 1 140 . THR . 16453 1 141 . VAL . 16453 1 142 . TYR . 16453 1 143 . GLN . 16453 1 144 . GLN . 16453 1 145 . CYS . 16453 1 146 . VAL . 16453 1 147 . ARG . 16453 1 148 . CYS . 16453 1 149 . CYS . 16453 1 150 . ARG . 16453 1 151 . ALA . 16453 1 152 . PHE . 16453 1 153 . LEU . 16453 1 154 . GLU . 16453 1 155 . LYS . 16453 1 156 . VAL . 16453 1 157 . ARG . 16453 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 . ALA 1 1 16453 1 . GLU 2 2 16453 1 . GLN 3 3 16453 1 . VAL 4 4 16453 1 . THR 5 5 16453 1 . LYS 6 6 16453 1 . SER 7 7 16453 1 . VAL 8 8 16453 1 . LEU 9 9 16453 1 . PHE 10 10 16453 1 . VAL 11 11 16453 1 . CYS 12 12 16453 1 . LEU 13 13 16453 1 . GLY 14 14 16453 1 . ASN 15 15 16453 1 . ILE 16 16 16453 1 . CYS 17 17 16453 1 . ARG 18 18 16453 1 . SER 19 19 16453 1 . PRO 20 20 16453 1 . ILE 21 21 16453 1 . ALA 22 22 16453 1 . GLU 23 23 16453 1 . ALA 24 24 16453 1 . VAL 25 25 16453 1 . PHE 26 26 16453 1 . ARG 27 27 16453 1 . LYS 28 28 16453 1 . LEU 29 29 16453 1 . VAL 30 30 16453 1 . THR 31 31 16453 1 . ASP 32 32 16453 1 . GLN 33 33 16453 1 . ASN 34 34 16453 1 . ILE 35 35 16453 1 . SER 36 36 16453 1 . ASP 37 37 16453 1 . ASN 38 38 16453 1 . TRP 39 39 16453 1 . VAL 40 40 16453 1 . ILE 41 41 16453 1 . ASP 42 42 16453 1 . SER 43 43 16453 1 . GLY 44 44 16453 1 . ALA 45 45 16453 1 . VAL 46 46 16453 1 . SER 47 47 16453 1 . ASP 48 48 16453 1 . TRP 49 49 16453 1 . ASN 50 50 16453 1 . VAL 51 51 16453 1 . GLY 52 52 16453 1 . ARG 53 53 16453 1 . SER 54 54 16453 1 . PRO 55 55 16453 1 . ASP 56 56 16453 1 . PRO 57 57 16453 1 . ARG 58 58 16453 1 . ALA 59 59 16453 1 . VAL 60 60 16453 1 . SER 61 61 16453 1 . CYS 62 62 16453 1 . LEU 63 63 16453 1 . ARG 64 64 16453 1 . ASN 65 65 16453 1 . HIS 66 66 16453 1 . GLY 67 67 16453 1 . ILE 68 68 16453 1 . ASN 69 69 16453 1 . THR 70 70 16453 1 . ALA 71 71 16453 1 . HIS 72 72 16453 1 . LYS 73 73 16453 1 . ALA 74 74 16453 1 . ARG 75 75 16453 1 . GLN 76 76 16453 1 . VAL 77 77 16453 1 . THR 78 78 16453 1 . LYS 79 79 16453 1 . GLU 80 80 16453 1 . ASP 81 81 16453 1 . PHE 82 82 16453 1 . VAL 83 83 16453 1 . THR 84 84 16453 1 . PHE 85 85 16453 1 . ASP 86 86 16453 1 . TYR 87 87 16453 1 . ILE 88 88 16453 1 . LEU 89 89 16453 1 . CYS 90 90 16453 1 . MET 91 91 16453 1 . ASP 92 92 16453 1 . GLU 93 93 16453 1 . SER 94 94 16453 1 . ASN 95 95 16453 1 . LEU 96 96 16453 1 . ARG 97 97 16453 1 . ASP 98 98 16453 1 . LEU 99 99 16453 1 . ASN 100 100 16453 1 . ARG 101 101 16453 1 . LYS 102 102 16453 1 . SER 103 103 16453 1 . ASN 104 104 16453 1 . GLN 105 105 16453 1 . VAL 106 106 16453 1 . LYS 107 107 16453 1 . ASN 108 108 16453 1 . CYS 109 109 16453 1 . ARG 110 110 16453 1 . ALA 111 111 16453 1 . LYS 112 112 16453 1 . ILE 113 113 16453 1 . GLU 114 114 16453 1 . LEU 115 115 16453 1 . LEU 116 116 16453 1 . GLY 117 117 16453 1 . SER 118 118 16453 1 . TYR 119 119 16453 1 . ASP 120 120 16453 1 . PRO 121 121 16453 1 . GLN 122 122 16453 1 . LYS 123 123 16453 1 . GLN 124 124 16453 1 . LEU 125 125 16453 1 . ILE 126 126 16453 1 . ILE 127 127 16453 1 . GLU 128 128 16453 1 . ASP 129 129 16453 1 . PRO 130 130 16453 1 . TYR 131 131 16453 1 . TYR 132 132 16453 1 . GLY 133 133 16453 1 . ASN 134 134 16453 1 . ASP 135 135 16453 1 . ALA 136 136 16453 1 . ASP 137 137 16453 1 . PHE 138 138 16453 1 . GLU 139 139 16453 1 . THR 140 140 16453 1 . VAL 141 141 16453 1 . TYR 142 142 16453 1 . GLN 143 143 16453 1 . GLN 144 144 16453 1 . CYS 145 145 16453 1 . VAL 146 146 16453 1 . ARG 147 147 16453 1 . CYS 148 148 16453 1 . CYS 149 149 16453 1 . ARG 150 150 16453 1 . ALA 151 151 16453 1 . PHE 152 152 16453 1 . LEU 153 153 16453 1 . GLU 154 154 16453 1 . LYS 155 155 16453 1 . VAL 156 156 16453 1 . ARG 157 157 16453 1 stop_ save_ save_PO4 _Entity.Sf_category entity _Entity.Sf_framecode PO4 _Entity.Entry_ID 16453 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name PO4 _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 PO4 _Entity.Nonpolymer_comp_label $chem_comp_PO4 _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 . PO4 . 16453 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 16453 _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 $LMW-PTP . 9913 organism . 'Bos taurus' cow . . Eukaryota Metazoa Bos taurus . . . . . . . . . . . . . . . . . . . . . 16453 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 16453 _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 $LMW-PTP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET-11d . . . . . . 16453 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PO4 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PO4 _Chem_comp.Entry_ID 16453 _Chem_comp.ID PO4 _Chem_comp.Provenance . _Chem_comp.Name 'PHOSPHATE ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code PO4 _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 IPS _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code PO4 _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 -3 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'O4 P' _Chem_comp.Formula_weight 94.971 _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 1IXG _Chem_comp.Processing_site EBI _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 Thu Nov 10 14:48:54 2011 ; _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/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3 InChI InChI 1.03 16453 PO4 NBIIXXVUZAFLBC-UHFFFAOYSA-K InChIKey InChI 1.03 16453 PO4 [O-][P]([O-])([O-])=O SMILES CACTVS 3.341 16453 PO4 [O-][P]([O-])([O-])=O SMILES_CANONICAL CACTVS 3.341 16453 PO4 [O-]P(=O)([O-])[O-] SMILES 'OpenEye OEToolkits' 1.5.0 16453 PO4 [O-]P(=O)([O-])[O-] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16453 PO4 [O-]P([O-])([O-])=O SMILES ACDLabs 10.04 16453 PO4 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 phosphate 'SYSTEMATIC NAME' ACDLabs 10.04 16453 PO4 phosphate 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16453 PO4 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 P . P . . P . . N 0 . . . . no no . . . . 29.995 . 23.516 . 13.249 . 0.000 0.000 0.000 1 . 16453 PO4 O1 . O1 . . O . . N 0 . . . . no no . . . . 31.092 . 22.988 . 14.164 . 0.000 -1.288 -0.911 2 . 16453 PO4 O2 . O2 . . O . . N -1 . . . . no no . . . . 30.404 . 24.896 . 12.647 . 0.000 1.288 -0.911 3 . 16453 PO4 O3 . O3 . . O . . N -1 . . . . no no . . . . 29.646 . 22.518 . 12.126 . -1.288 0.000 0.911 4 . 16453 PO4 O4 . O4 . . O . . N -1 . . . . no no . . . . 28.727 . 23.744 . 14.161 . 1.288 0.000 0.911 5 . 16453 PO4 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 P O1 no N 1 . 16453 PO4 2 . SING P O2 no N 2 . 16453 PO4 3 . SING P O3 no N 3 . 16453 PO4 4 . SING P O4 no N 4 . 16453 PO4 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16453 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 LMW-PTP '[U-100% 15N]' . . 1 $LMW-PTP . . 0.026 . . mM 0.002 . . . 16453 1 2 Phosphate 'natural abundance' . . 2 $PO4 . . 200 . . mM . . . . 16453 1 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16453 1 4 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 16453 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16453 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16453 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16453 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 LMW-PTP '[U-100% 15N]' . . 1 $LMW-PTP . . 0.079 . . mM 0.005 . . . 16453 2 2 Phosphate 'natural abundance' . . 2 $PO4 . . 200 . . mM . . . . 16453 2 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16453 2 4 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 16453 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16453 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16453 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16453 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 LMW-PTP '[U-100% 15N]' . . 1 $LMW-PTP . . 0.17 . . mM 0.02 . . . 16453 3 2 Phosphate 'natural abundance' . . 2 $PO4 . . 200 . . mM . . . . 16453 3 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16453 3 4 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 16453 3 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16453 3 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16453 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 16453 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 LMW-PTP '[U-100% 15N]' . . 1 $LMW-PTP . . 0.34 . . mM 0.03 . . . 16453 4 2 Phosphate 'natural abundance' . . 2 $PO4 . . 200 . . mM . . . . 16453 4 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16453 4 4 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 16453 4 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16453 4 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16453 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 16453 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 LMW-PTP '[U-100% 15N]' . . 1 $LMW-PTP . . 0.66 . . mM 0.04 . . . 16453 5 2 Phosphate 'natural abundance' . . 2 $PO4 . . 200 . . mM . . . . 16453 5 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16453 5 4 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 16453 5 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16453 5 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16453 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 16453 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 LMW-PTP '[U-100% 15N]' . . 1 $LMW-PTP . . 1.24 . . mM 0.07 . . . 16453 6 2 Phosphate 'natural abundance' . . 2 $PO4 . . 200 . . mM . . . . 16453 6 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16453 6 4 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 16453 6 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16453 6 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16453 6 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 16453 _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 5.0 . pH 16453 1 temperature 310 0.1 K 16453 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16453 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16453 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16453 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16453 _Software.ID 2 _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' . . 16453 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16453 2 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 16453 _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' . . 16453 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 16453 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 16453 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 16453 _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 . 600 . . . 16453 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 16453 _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 . . . . . . . . . . . . . . . . 16453 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16453 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16453 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16453 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16453 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16453 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 16453 _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 16453 1 2 '2D 1H-15N HSQC' 2 $sample_2 isotropic 16453 1 3 '2D 1H-15N HSQC' 3 $sample_3 isotropic 16453 1 4 '2D 1H-15N HSQC' 4 $sample_4 isotropic 16453 1 5 '2D 1H-15N HSQC' 5 $sample_5 isotropic 16453 1 6 '2D 1H-15N HSQC' 6 $sample_6 isotropic 16453 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 $NMRView . . 16453 1 2 $NMRPipe . . 16453 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 1.5 0.1 mM 16453 1 2 2 1 . 1 1 . . . . . . . . . . . 'chemical shifts' Kd 1.5 0.1 mM 16453 1 3 3 1 . 1 1 . . . . . . . . . . . 'chemical shifts' Kd 1.5 0.1 mM 16453 1 4 4 1 . 1 1 . . . . . . . . . . . 'chemical shifts' Kd 1.5 0.1 mM 16453 1 5 5 1 . 1 1 . . . . . . . . . . . 'chemical shifts' Kd 1.5 0.1 mM 16453 1 6 6 1 . 1 1 . . . . . . . . . . . 'chemical shifts' Kd 1.5 0.1 mM 16453 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 LMR-PTP1 1 $LMW-PTP 16453 1 1 1 3 Phosphate1 2 $PO4 16453 1 2 1 1 LMR-PTP1 1 $LMW-PTP 16453 1 2 1 3 Phosphate1 2 $PO4 16453 1 3 1 1 LMR-PTP1 1 $LMW-PTP 16453 1 3 1 3 Phosphate1 2 $PO4 16453 1 4 1 1 LMR-PTP1 1 $LMW-PTP 16453 1 4 1 3 Phosphate1 2 $PO4 16453 1 5 1 1 LMR-PTP1 1 $LMW-PTP 16453 1 5 1 3 Phosphate1 2 $PO4 16453 1 6 1 1 LMR-PTP1 1 $LMW-PTP 16453 1 6 1 3 Phosphate1 2 $PO4 16453 1 stop_ save_