data_16454 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16454 _Entry.Title ; NMR Solution Structure of Complement-like Repeat CR3 from the Low Density Lipoprotein REceptor-related Protein ; _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 Klavs Dolmer . . . 16454 2 Wen Huang . . . 16454 3 Peter Gettins . G.W. . 16454 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID binding_constants 1 16454 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'binding constants' 1 16454 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 . 16454 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16454 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10652313 _Citation.Full_citation . _Citation.Title 'NMR Solution Structure of Complement-like Repeat CR3 from the Low Density Lipoprotein Receptor-related Protein' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'Journal of Biological Chemistry' _Citation.Journal_volume 275 _Citation.Journal_issue 5 _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 3264 _Citation.Page_last 3269 _Citation.Year 2000 _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 Klavs Dolmer . . . 16454 1 2 Wen Huang . . . 16454 1 3 Peter Gettins . G.W. . 16454 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16454 _Assembly.ID 1 _Assembly.Name CR3/RBD _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 CR3 1 $CR3 A . yes native no no . . . 16454 1 2 RBD 2 $RBD B . yes native no no . . . 16454 1 3 'Calcium ion' 3 $CA C . yes non-polymer no no . . 'responsible for activation, but not used in experiment' 16454 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CR3 _Entity.Sf_category entity _Entity.Sf_framecode CR3 _Entity.Entry_ID 16454 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CR3 _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 ; QCQPGEFACANSRCIQERWK CDGDNDCLDNSDEAPALCHQ H ; _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 41 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _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 'from the low density lipoprotein receptor-related protein (LRP)' _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 4514 . "lipoprotein receptor related protein" . . . . . 100.00 45 100.00 100.00 1.66e-20 . . . . 16454 1 2 no PDB 1D2L . "Nmr Solution Structure Of Complement-Like Repeat Cr3 From The Low Density Lipoprotein Receptor-Related Protein (Lrp) . Evidence" . . . . . 100.00 45 100.00 100.00 1.65e-20 . . . . 16454 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 . GLN . 16454 1 2 . CYS . 16454 1 3 . GLN . 16454 1 4 . PRO . 16454 1 5 . GLY . 16454 1 6 . GLU . 16454 1 7 . PHE . 16454 1 8 . ALA . 16454 1 9 . CYS . 16454 1 10 . ALA . 16454 1 11 . ASN . 16454 1 12 . SER . 16454 1 13 . ARG . 16454 1 14 . CYS . 16454 1 15 . ILE . 16454 1 16 . GLN . 16454 1 17 . GLU . 16454 1 18 . ARG . 16454 1 19 . TRP . 16454 1 20 . LYS . 16454 1 21 . CYS . 16454 1 22 . ASP . 16454 1 23 . GLY . 16454 1 24 . ASP . 16454 1 25 . ASN . 16454 1 26 . ASP . 16454 1 27 . CYS . 16454 1 28 . LEU . 16454 1 29 . ASP . 16454 1 30 . ASN . 16454 1 31 . SER . 16454 1 32 . ASP . 16454 1 33 . GLU . 16454 1 34 . ALA . 16454 1 35 . PRO . 16454 1 36 . ALA . 16454 1 37 . LEU . 16454 1 38 . CYS . 16454 1 39 . HIS . 16454 1 40 . GLN . 16454 1 41 . HIS . 16454 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 . GLN 1 1 16454 1 . CYS 2 2 16454 1 . GLN 3 3 16454 1 . PRO 4 4 16454 1 . GLY 5 5 16454 1 . GLU 6 6 16454 1 . PHE 7 7 16454 1 . ALA 8 8 16454 1 . CYS 9 9 16454 1 . ALA 10 10 16454 1 . ASN 11 11 16454 1 . SER 12 12 16454 1 . ARG 13 13 16454 1 . CYS 14 14 16454 1 . ILE 15 15 16454 1 . GLN 16 16 16454 1 . GLU 17 17 16454 1 . ARG 18 18 16454 1 . TRP 19 19 16454 1 . LYS 20 20 16454 1 . CYS 21 21 16454 1 . ASP 22 22 16454 1 . GLY 23 23 16454 1 . ASP 24 24 16454 1 . ASN 25 25 16454 1 . ASP 26 26 16454 1 . CYS 27 27 16454 1 . LEU 28 28 16454 1 . ASP 29 29 16454 1 . ASN 30 30 16454 1 . SER 31 31 16454 1 . ASP 32 32 16454 1 . GLU 33 33 16454 1 . ALA 34 34 16454 1 . PRO 35 35 16454 1 . ALA 36 36 16454 1 . LEU 37 37 16454 1 . CYS 38 38 16454 1 . HIS 39 39 16454 1 . GLN 40 40 16454 1 . HIS 41 41 16454 1 stop_ save_ save_RBD _Entity.Sf_category entity _Entity.Sf_framecode RBD _Entity.Entry_ID 16454 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name RBD _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 ; MAPRRVRSFLRGLPALLLLL LFLGPWPAASHGGKYSREKN QPKPSPKRESGEEFRMEKLN QLWEKAQRLHLPPWRLAELH ADLKIQERDELAWKKLKLDG LDEDGEKEARLIRNLNVILA KYGLDGKKDARQVTSNSLSG TQEDGLDDPRLEKLWHKAKT SGKFSGEELDKLWREFLHHK EKVHEYNVLLETLSRTEEIH ENVISPSDLSDIKGSVLHSR HTELKEKLRSINQGLDRLRR VSHQGYSTEAEFEEPRVIDL WDLAQSANLTDKELEAFREE LKHFEAKIEKHNHYQKQLEI AHEKLRHAESVGDGERVSRS REKHALLEGRTKELGYTVKK HLQDLSGRISRARHNEL ; _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 357 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _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 'alpha2-macroglobulin - structure from paper: "Crystal structure of the receptor-binding domain of alpha 2-macroglobulin."' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 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 2P01 . "The Structure Of Receptor-Associated Protein(Rap)" . . . . . 90.48 323 99.69 99.69 0.00e+00 . . . . 16454 2 2 no PDB 2P03 . "The Structure Of Receptor-Associated Protein(Rap)" . . . . . 90.48 323 99.69 99.69 0.00e+00 . . . . 16454 2 3 no DBJ BAD96224 . "low density lipoprotein receptor-related protein associated protein 1 variant [Homo sapiens]" . . . . . 100.00 357 99.44 99.44 0.00e+00 . . . . 16454 2 4 no DBJ BAD96247 . "low density lipoprotein receptor-related protein associated protein 1 variant [Homo sapiens]" . . . . . 100.00 357 99.16 99.16 0.00e+00 . . . . 16454 2 5 no DBJ BAF85010 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 357 99.16 99.16 0.00e+00 . . . . 16454 2 6 no DBJ BAG35576 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 357 99.44 99.44 0.00e+00 . . . . 16454 2 7 no DBJ BAG73353 . "low density lipoprotein receptor-related protein associated protein 1 [synthetic construct]" . . . . . 100.00 357 99.72 99.72 0.00e+00 . . . . 16454 2 8 no EMBL CAH90295 . "hypothetical protein [Pongo abelii]" . . . . . 100.28 358 96.93 97.77 0.00e+00 . . . . 16454 2 9 no GB AAA51553 . "alpha-2-macroglobulin receptor-associated protein [Homo sapiens]" . . . . . 100.00 357 99.72 99.72 0.00e+00 . . . . 16454 2 10 no GB AAC67373 . "lipoprotein receptor associated protein [Homo sapiens]" . . . . . 100.00 357 99.72 99.72 0.00e+00 . . . . 16454 2 11 no GB AAI05075 . "Low density lipoprotein receptor-related protein associated protein 1 [Homo sapiens]" . . . . . 100.00 357 99.72 99.72 0.00e+00 . . . . 16454 2 12 no GB AAI12068 . "Low density lipoprotein receptor-related protein associated protein 1 [Homo sapiens]" . . . . . 100.00 357 99.72 99.72 0.00e+00 . . . . 16454 2 13 no GB AAY18903 . "lipoprotein receptor associated protein; alpha-2-macroglobulin receptor-associated protein [synthetic construct]" . . . . . 99.72 381 99.72 99.72 0.00e+00 . . . . 16454 2 14 no REF NP_001125136 . "alpha-2-macroglobulin receptor-associated protein precursor [Pongo abelii]" . . . . . 100.28 358 96.93 97.77 0.00e+00 . . . . 16454 2 15 no REF NP_001233320 . "alpha-2-macroglobulin receptor-associated protein precursor [Pan troglodytes]" . . . . . 100.00 357 98.88 99.16 0.00e+00 . . . . 16454 2 16 no REF NP_002328 . "alpha-2-macroglobulin receptor-associated protein precursor [Homo sapiens]" . . . . . 100.00 357 99.72 99.72 0.00e+00 . . . . 16454 2 17 no REF XP_003804417 . "PREDICTED: alpha-2-macroglobulin receptor-associated protein isoform X1 [Pan paniscus]" . . . . . 100.00 357 98.88 99.16 0.00e+00 . . . . 16454 2 18 no REF XP_004038406 . "PREDICTED: alpha-2-macroglobulin receptor-associated protein-like [Gorilla gorilla gorilla]" . . . . . 94.96 406 98.53 99.41 0.00e+00 . . . . 16454 2 19 no SP P30533 . "RecName: Full=Alpha-2-macroglobulin receptor-associated protein; Short=Alpha-2-MRAP; AltName: Full=Low density lipoprotein rece" . . . . . 100.00 357 99.72 99.72 0.00e+00 . . . . 16454 2 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 . 16454 2 2 . ALA . 16454 2 3 . PRO . 16454 2 4 . ARG . 16454 2 5 . ARG . 16454 2 6 . VAL . 16454 2 7 . ARG . 16454 2 8 . SER . 16454 2 9 . PHE . 16454 2 10 . LEU . 16454 2 11 . ARG . 16454 2 12 . GLY . 16454 2 13 . LEU . 16454 2 14 . PRO . 16454 2 15 . ALA . 16454 2 16 . LEU . 16454 2 17 . LEU . 16454 2 18 . LEU . 16454 2 19 . LEU . 16454 2 20 . LEU . 16454 2 21 . LEU . 16454 2 22 . PHE . 16454 2 23 . LEU . 16454 2 24 . GLY . 16454 2 25 . PRO . 16454 2 26 . TRP . 16454 2 27 . PRO . 16454 2 28 . ALA . 16454 2 29 . ALA . 16454 2 30 . SER . 16454 2 31 . HIS . 16454 2 32 . GLY . 16454 2 33 . GLY . 16454 2 34 . LYS . 16454 2 35 . TYR . 16454 2 36 . SER . 16454 2 37 . ARG . 16454 2 38 . GLU . 16454 2 39 . LYS . 16454 2 40 . ASN . 16454 2 41 . GLN . 16454 2 42 . PRO . 16454 2 43 . LYS . 16454 2 44 . PRO . 16454 2 45 . SER . 16454 2 46 . PRO . 16454 2 47 . LYS . 16454 2 48 . ARG . 16454 2 49 . GLU . 16454 2 50 . SER . 16454 2 51 . GLY . 16454 2 52 . GLU . 16454 2 53 . GLU . 16454 2 54 . PHE . 16454 2 55 . ARG . 16454 2 56 . MET . 16454 2 57 . GLU . 16454 2 58 . LYS . 16454 2 59 . LEU . 16454 2 60 . ASN . 16454 2 61 . GLN . 16454 2 62 . LEU . 16454 2 63 . TRP . 16454 2 64 . GLU . 16454 2 65 . LYS . 16454 2 66 . ALA . 16454 2 67 . GLN . 16454 2 68 . ARG . 16454 2 69 . LEU . 16454 2 70 . HIS . 16454 2 71 . LEU . 16454 2 72 . PRO . 16454 2 73 . PRO . 16454 2 74 . TRP . 16454 2 75 . ARG . 16454 2 76 . LEU . 16454 2 77 . ALA . 16454 2 78 . GLU . 16454 2 79 . LEU . 16454 2 80 . HIS . 16454 2 81 . ALA . 16454 2 82 . ASP . 16454 2 83 . LEU . 16454 2 84 . LYS . 16454 2 85 . ILE . 16454 2 86 . GLN . 16454 2 87 . GLU . 16454 2 88 . ARG . 16454 2 89 . ASP . 16454 2 90 . GLU . 16454 2 91 . LEU . 16454 2 92 . ALA . 16454 2 93 . TRP . 16454 2 94 . LYS . 16454 2 95 . LYS . 16454 2 96 . LEU . 16454 2 97 . LYS . 16454 2 98 . LEU . 16454 2 99 . ASP . 16454 2 100 . GLY . 16454 2 101 . LEU . 16454 2 102 . ASP . 16454 2 103 . GLU . 16454 2 104 . ASP . 16454 2 105 . GLY . 16454 2 106 . GLU . 16454 2 107 . LYS . 16454 2 108 . GLU . 16454 2 109 . ALA . 16454 2 110 . ARG . 16454 2 111 . LEU . 16454 2 112 . ILE . 16454 2 113 . ARG . 16454 2 114 . ASN . 16454 2 115 . LEU . 16454 2 116 . ASN . 16454 2 117 . VAL . 16454 2 118 . ILE . 16454 2 119 . LEU . 16454 2 120 . ALA . 16454 2 121 . LYS . 16454 2 122 . TYR . 16454 2 123 . GLY . 16454 2 124 . LEU . 16454 2 125 . ASP . 16454 2 126 . GLY . 16454 2 127 . LYS . 16454 2 128 . LYS . 16454 2 129 . ASP . 16454 2 130 . ALA . 16454 2 131 . ARG . 16454 2 132 . GLN . 16454 2 133 . VAL . 16454 2 134 . THR . 16454 2 135 . SER . 16454 2 136 . ASN . 16454 2 137 . SER . 16454 2 138 . LEU . 16454 2 139 . SER . 16454 2 140 . GLY . 16454 2 141 . THR . 16454 2 142 . GLN . 16454 2 143 . GLU . 16454 2 144 . ASP . 16454 2 145 . GLY . 16454 2 146 . LEU . 16454 2 147 . ASP . 16454 2 148 . ASP . 16454 2 149 . PRO . 16454 2 150 . ARG . 16454 2 151 . LEU . 16454 2 152 . GLU . 16454 2 153 . LYS . 16454 2 154 . LEU . 16454 2 155 . TRP . 16454 2 156 . HIS . 16454 2 157 . LYS . 16454 2 158 . ALA . 16454 2 159 . LYS . 16454 2 160 . THR . 16454 2 161 . SER . 16454 2 162 . GLY . 16454 2 163 . LYS . 16454 2 164 . PHE . 16454 2 165 . SER . 16454 2 166 . GLY . 16454 2 167 . GLU . 16454 2 168 . GLU . 16454 2 169 . LEU . 16454 2 170 . ASP . 16454 2 171 . LYS . 16454 2 172 . LEU . 16454 2 173 . TRP . 16454 2 174 . ARG . 16454 2 175 . GLU . 16454 2 176 . PHE . 16454 2 177 . LEU . 16454 2 178 . HIS . 16454 2 179 . HIS . 16454 2 180 . LYS . 16454 2 181 . GLU . 16454 2 182 . LYS . 16454 2 183 . VAL . 16454 2 184 . HIS . 16454 2 185 . GLU . 16454 2 186 . TYR . 16454 2 187 . ASN . 16454 2 188 . VAL . 16454 2 189 . LEU . 16454 2 190 . LEU . 16454 2 191 . GLU . 16454 2 192 . THR . 16454 2 193 . LEU . 16454 2 194 . SER . 16454 2 195 . ARG . 16454 2 196 . THR . 16454 2 197 . GLU . 16454 2 198 . GLU . 16454 2 199 . ILE . 16454 2 200 . HIS . 16454 2 201 . GLU . 16454 2 202 . ASN . 16454 2 203 . VAL . 16454 2 204 . ILE . 16454 2 205 . SER . 16454 2 206 . PRO . 16454 2 207 . SER . 16454 2 208 . ASP . 16454 2 209 . LEU . 16454 2 210 . SER . 16454 2 211 . ASP . 16454 2 212 . ILE . 16454 2 213 . LYS . 16454 2 214 . GLY . 16454 2 215 . SER . 16454 2 216 . VAL . 16454 2 217 . LEU . 16454 2 218 . HIS . 16454 2 219 . SER . 16454 2 220 . ARG . 16454 2 221 . HIS . 16454 2 222 . THR . 16454 2 223 . GLU . 16454 2 224 . LEU . 16454 2 225 . LYS . 16454 2 226 . GLU . 16454 2 227 . LYS . 16454 2 228 . LEU . 16454 2 229 . ARG . 16454 2 230 . SER . 16454 2 231 . ILE . 16454 2 232 . ASN . 16454 2 233 . GLN . 16454 2 234 . GLY . 16454 2 235 . LEU . 16454 2 236 . ASP . 16454 2 237 . ARG . 16454 2 238 . LEU . 16454 2 239 . ARG . 16454 2 240 . ARG . 16454 2 241 . VAL . 16454 2 242 . SER . 16454 2 243 . HIS . 16454 2 244 . GLN . 16454 2 245 . GLY . 16454 2 246 . TYR . 16454 2 247 . SER . 16454 2 248 . THR . 16454 2 249 . GLU . 16454 2 250 . ALA . 16454 2 251 . GLU . 16454 2 252 . PHE . 16454 2 253 . GLU . 16454 2 254 . GLU . 16454 2 255 . PRO . 16454 2 256 . ARG . 16454 2 257 . VAL . 16454 2 258 . ILE . 16454 2 259 . ASP . 16454 2 260 . LEU . 16454 2 261 . TRP . 16454 2 262 . ASP . 16454 2 263 . LEU . 16454 2 264 . ALA . 16454 2 265 . GLN . 16454 2 266 . SER . 16454 2 267 . ALA . 16454 2 268 . ASN . 16454 2 269 . LEU . 16454 2 270 . THR . 16454 2 271 . ASP . 16454 2 272 . LYS . 16454 2 273 . GLU . 16454 2 274 . LEU . 16454 2 275 . GLU . 16454 2 276 . ALA . 16454 2 277 . PHE . 16454 2 278 . ARG . 16454 2 279 . GLU . 16454 2 280 . GLU . 16454 2 281 . LEU . 16454 2 282 . LYS . 16454 2 283 . HIS . 16454 2 284 . PHE . 16454 2 285 . GLU . 16454 2 286 . ALA . 16454 2 287 . LYS . 16454 2 288 . ILE . 16454 2 289 . GLU . 16454 2 290 . LYS . 16454 2 291 . HIS . 16454 2 292 . ASN . 16454 2 293 . HIS . 16454 2 294 . TYR . 16454 2 295 . GLN . 16454 2 296 . LYS . 16454 2 297 . GLN . 16454 2 298 . LEU . 16454 2 299 . GLU . 16454 2 300 . ILE . 16454 2 301 . ALA . 16454 2 302 . HIS . 16454 2 303 . GLU . 16454 2 304 . LYS . 16454 2 305 . LEU . 16454 2 306 . ARG . 16454 2 307 . HIS . 16454 2 308 . ALA . 16454 2 309 . GLU . 16454 2 310 . SER . 16454 2 311 . VAL . 16454 2 312 . GLY . 16454 2 313 . ASP . 16454 2 314 . GLY . 16454 2 315 . GLU . 16454 2 316 . ARG . 16454 2 317 . VAL . 16454 2 318 . SER . 16454 2 319 . ARG . 16454 2 320 . SER . 16454 2 321 . ARG . 16454 2 322 . GLU . 16454 2 323 . LYS . 16454 2 324 . HIS . 16454 2 325 . ALA . 16454 2 326 . LEU . 16454 2 327 . LEU . 16454 2 328 . GLU . 16454 2 329 . GLY . 16454 2 330 . ARG . 16454 2 331 . THR . 16454 2 332 . LYS . 16454 2 333 . GLU . 16454 2 334 . LEU . 16454 2 335 . GLY . 16454 2 336 . TYR . 16454 2 337 . THR . 16454 2 338 . VAL . 16454 2 339 . LYS . 16454 2 340 . LYS . 16454 2 341 . HIS . 16454 2 342 . LEU . 16454 2 343 . GLN . 16454 2 344 . ASP . 16454 2 345 . LEU . 16454 2 346 . SER . 16454 2 347 . GLY . 16454 2 348 . ARG . 16454 2 349 . ILE . 16454 2 350 . SER . 16454 2 351 . ARG . 16454 2 352 . ALA . 16454 2 353 . ARG . 16454 2 354 . HIS . 16454 2 355 . ASN . 16454 2 356 . GLU . 16454 2 357 . LEU . 16454 2 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 16454 2 . ALA 2 2 16454 2 . PRO 3 3 16454 2 . ARG 4 4 16454 2 . ARG 5 5 16454 2 . VAL 6 6 16454 2 . ARG 7 7 16454 2 . SER 8 8 16454 2 . PHE 9 9 16454 2 . LEU 10 10 16454 2 . ARG 11 11 16454 2 . GLY 12 12 16454 2 . LEU 13 13 16454 2 . PRO 14 14 16454 2 . ALA 15 15 16454 2 . LEU 16 16 16454 2 . LEU 17 17 16454 2 . LEU 18 18 16454 2 . LEU 19 19 16454 2 . LEU 20 20 16454 2 . LEU 21 21 16454 2 . PHE 22 22 16454 2 . LEU 23 23 16454 2 . GLY 24 24 16454 2 . PRO 25 25 16454 2 . TRP 26 26 16454 2 . PRO 27 27 16454 2 . ALA 28 28 16454 2 . ALA 29 29 16454 2 . SER 30 30 16454 2 . HIS 31 31 16454 2 . GLY 32 32 16454 2 . GLY 33 33 16454 2 . LYS 34 34 16454 2 . TYR 35 35 16454 2 . SER 36 36 16454 2 . ARG 37 37 16454 2 . GLU 38 38 16454 2 . LYS 39 39 16454 2 . ASN 40 40 16454 2 . GLN 41 41 16454 2 . PRO 42 42 16454 2 . LYS 43 43 16454 2 . PRO 44 44 16454 2 . SER 45 45 16454 2 . PRO 46 46 16454 2 . LYS 47 47 16454 2 . ARG 48 48 16454 2 . GLU 49 49 16454 2 . SER 50 50 16454 2 . GLY 51 51 16454 2 . GLU 52 52 16454 2 . GLU 53 53 16454 2 . PHE 54 54 16454 2 . ARG 55 55 16454 2 . MET 56 56 16454 2 . GLU 57 57 16454 2 . LYS 58 58 16454 2 . LEU 59 59 16454 2 . ASN 60 60 16454 2 . GLN 61 61 16454 2 . LEU 62 62 16454 2 . TRP 63 63 16454 2 . GLU 64 64 16454 2 . LYS 65 65 16454 2 . ALA 66 66 16454 2 . GLN 67 67 16454 2 . ARG 68 68 16454 2 . LEU 69 69 16454 2 . HIS 70 70 16454 2 . LEU 71 71 16454 2 . PRO 72 72 16454 2 . PRO 73 73 16454 2 . TRP 74 74 16454 2 . ARG 75 75 16454 2 . LEU 76 76 16454 2 . ALA 77 77 16454 2 . GLU 78 78 16454 2 . LEU 79 79 16454 2 . HIS 80 80 16454 2 . ALA 81 81 16454 2 . ASP 82 82 16454 2 . LEU 83 83 16454 2 . LYS 84 84 16454 2 . ILE 85 85 16454 2 . GLN 86 86 16454 2 . GLU 87 87 16454 2 . ARG 88 88 16454 2 . ASP 89 89 16454 2 . GLU 90 90 16454 2 . LEU 91 91 16454 2 . ALA 92 92 16454 2 . TRP 93 93 16454 2 . LYS 94 94 16454 2 . LYS 95 95 16454 2 . LEU 96 96 16454 2 . LYS 97 97 16454 2 . LEU 98 98 16454 2 . ASP 99 99 16454 2 . GLY 100 100 16454 2 . LEU 101 101 16454 2 . ASP 102 102 16454 2 . GLU 103 103 16454 2 . ASP 104 104 16454 2 . GLY 105 105 16454 2 . GLU 106 106 16454 2 . LYS 107 107 16454 2 . GLU 108 108 16454 2 . ALA 109 109 16454 2 . ARG 110 110 16454 2 . LEU 111 111 16454 2 . ILE 112 112 16454 2 . ARG 113 113 16454 2 . ASN 114 114 16454 2 . LEU 115 115 16454 2 . ASN 116 116 16454 2 . VAL 117 117 16454 2 . ILE 118 118 16454 2 . LEU 119 119 16454 2 . ALA 120 120 16454 2 . LYS 121 121 16454 2 . TYR 122 122 16454 2 . GLY 123 123 16454 2 . LEU 124 124 16454 2 . ASP 125 125 16454 2 . GLY 126 126 16454 2 . LYS 127 127 16454 2 . LYS 128 128 16454 2 . ASP 129 129 16454 2 . ALA 130 130 16454 2 . ARG 131 131 16454 2 . GLN 132 132 16454 2 . VAL 133 133 16454 2 . THR 134 134 16454 2 . SER 135 135 16454 2 . ASN 136 136 16454 2 . SER 137 137 16454 2 . LEU 138 138 16454 2 . SER 139 139 16454 2 . GLY 140 140 16454 2 . THR 141 141 16454 2 . GLN 142 142 16454 2 . GLU 143 143 16454 2 . ASP 144 144 16454 2 . GLY 145 145 16454 2 . LEU 146 146 16454 2 . ASP 147 147 16454 2 . ASP 148 148 16454 2 . PRO 149 149 16454 2 . ARG 150 150 16454 2 . LEU 151 151 16454 2 . GLU 152 152 16454 2 . LYS 153 153 16454 2 . LEU 154 154 16454 2 . TRP 155 155 16454 2 . HIS 156 156 16454 2 . LYS 157 157 16454 2 . ALA 158 158 16454 2 . LYS 159 159 16454 2 . THR 160 160 16454 2 . SER 161 161 16454 2 . GLY 162 162 16454 2 . LYS 163 163 16454 2 . PHE 164 164 16454 2 . SER 165 165 16454 2 . GLY 166 166 16454 2 . GLU 167 167 16454 2 . GLU 168 168 16454 2 . LEU 169 169 16454 2 . ASP 170 170 16454 2 . LYS 171 171 16454 2 . LEU 172 172 16454 2 . TRP 173 173 16454 2 . ARG 174 174 16454 2 . GLU 175 175 16454 2 . PHE 176 176 16454 2 . LEU 177 177 16454 2 . HIS 178 178 16454 2 . HIS 179 179 16454 2 . LYS 180 180 16454 2 . GLU 181 181 16454 2 . LYS 182 182 16454 2 . VAL 183 183 16454 2 . HIS 184 184 16454 2 . GLU 185 185 16454 2 . TYR 186 186 16454 2 . ASN 187 187 16454 2 . VAL 188 188 16454 2 . LEU 189 189 16454 2 . LEU 190 190 16454 2 . GLU 191 191 16454 2 . THR 192 192 16454 2 . LEU 193 193 16454 2 . SER 194 194 16454 2 . ARG 195 195 16454 2 . THR 196 196 16454 2 . GLU 197 197 16454 2 . GLU 198 198 16454 2 . ILE 199 199 16454 2 . HIS 200 200 16454 2 . GLU 201 201 16454 2 . ASN 202 202 16454 2 . VAL 203 203 16454 2 . ILE 204 204 16454 2 . SER 205 205 16454 2 . PRO 206 206 16454 2 . SER 207 207 16454 2 . ASP 208 208 16454 2 . LEU 209 209 16454 2 . SER 210 210 16454 2 . ASP 211 211 16454 2 . ILE 212 212 16454 2 . LYS 213 213 16454 2 . GLY 214 214 16454 2 . SER 215 215 16454 2 . VAL 216 216 16454 2 . LEU 217 217 16454 2 . HIS 218 218 16454 2 . SER 219 219 16454 2 . ARG 220 220 16454 2 . HIS 221 221 16454 2 . THR 222 222 16454 2 . GLU 223 223 16454 2 . LEU 224 224 16454 2 . LYS 225 225 16454 2 . GLU 226 226 16454 2 . LYS 227 227 16454 2 . LEU 228 228 16454 2 . ARG 229 229 16454 2 . SER 230 230 16454 2 . ILE 231 231 16454 2 . ASN 232 232 16454 2 . GLN 233 233 16454 2 . GLY 234 234 16454 2 . LEU 235 235 16454 2 . ASP 236 236 16454 2 . ARG 237 237 16454 2 . LEU 238 238 16454 2 . ARG 239 239 16454 2 . ARG 240 240 16454 2 . VAL 241 241 16454 2 . SER 242 242 16454 2 . HIS 243 243 16454 2 . GLN 244 244 16454 2 . GLY 245 245 16454 2 . TYR 246 246 16454 2 . SER 247 247 16454 2 . THR 248 248 16454 2 . GLU 249 249 16454 2 . ALA 250 250 16454 2 . GLU 251 251 16454 2 . PHE 252 252 16454 2 . GLU 253 253 16454 2 . GLU 254 254 16454 2 . PRO 255 255 16454 2 . ARG 256 256 16454 2 . VAL 257 257 16454 2 . ILE 258 258 16454 2 . ASP 259 259 16454 2 . LEU 260 260 16454 2 . TRP 261 261 16454 2 . ASP 262 262 16454 2 . LEU 263 263 16454 2 . ALA 264 264 16454 2 . GLN 265 265 16454 2 . SER 266 266 16454 2 . ALA 267 267 16454 2 . ASN 268 268 16454 2 . LEU 269 269 16454 2 . THR 270 270 16454 2 . ASP 271 271 16454 2 . LYS 272 272 16454 2 . GLU 273 273 16454 2 . LEU 274 274 16454 2 . GLU 275 275 16454 2 . ALA 276 276 16454 2 . PHE 277 277 16454 2 . ARG 278 278 16454 2 . GLU 279 279 16454 2 . GLU 280 280 16454 2 . LEU 281 281 16454 2 . LYS 282 282 16454 2 . HIS 283 283 16454 2 . PHE 284 284 16454 2 . GLU 285 285 16454 2 . ALA 286 286 16454 2 . LYS 287 287 16454 2 . ILE 288 288 16454 2 . GLU 289 289 16454 2 . LYS 290 290 16454 2 . HIS 291 291 16454 2 . ASN 292 292 16454 2 . HIS 293 293 16454 2 . TYR 294 294 16454 2 . GLN 295 295 16454 2 . LYS 296 296 16454 2 . GLN 297 297 16454 2 . LEU 298 298 16454 2 . GLU 299 299 16454 2 . ILE 300 300 16454 2 . ALA 301 301 16454 2 . HIS 302 302 16454 2 . GLU 303 303 16454 2 . LYS 304 304 16454 2 . LEU 305 305 16454 2 . ARG 306 306 16454 2 . HIS 307 307 16454 2 . ALA 308 308 16454 2 . GLU 309 309 16454 2 . SER 310 310 16454 2 . VAL 311 311 16454 2 . GLY 312 312 16454 2 . ASP 313 313 16454 2 . GLY 314 314 16454 2 . GLU 315 315 16454 2 . ARG 316 316 16454 2 . VAL 317 317 16454 2 . SER 318 318 16454 2 . ARG 319 319 16454 2 . SER 320 320 16454 2 . ARG 321 321 16454 2 . GLU 322 322 16454 2 . LYS 323 323 16454 2 . HIS 324 324 16454 2 . ALA 325 325 16454 2 . LEU 326 326 16454 2 . LEU 327 327 16454 2 . GLU 328 328 16454 2 . GLY 329 329 16454 2 . ARG 330 330 16454 2 . THR 331 331 16454 2 . LYS 332 332 16454 2 . GLU 333 333 16454 2 . LEU 334 334 16454 2 . GLY 335 335 16454 2 . TYR 336 336 16454 2 . THR 337 337 16454 2 . VAL 338 338 16454 2 . LYS 339 339 16454 2 . LYS 340 340 16454 2 . HIS 341 341 16454 2 . LEU 342 342 16454 2 . GLN 343 343 16454 2 . ASP 344 344 16454 2 . LEU 345 345 16454 2 . SER 346 346 16454 2 . GLY 347 347 16454 2 . ARG 348 348 16454 2 . ILE 349 349 16454 2 . SER 350 350 16454 2 . ARG 351 351 16454 2 . ALA 352 352 16454 2 . ARG 353 353 16454 2 . HIS 354 354 16454 2 . ASN 355 355 16454 2 . GLU 356 356 16454 2 . LEU 357 357 16454 2 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 16454 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name CA _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 CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 . CA . 16454 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 16454 _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 $CR3 . 286 organism . Pseudomonas Pseudomonas . . Bacteria . Pseudomonas . . . . . . . . . . . . . . . . . . . . . . 16454 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 16454 _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 2 $RBD . 'recombinant technology' 'homo sapiens' . . . homo sapiens . . . . . . . . . . . . . . . . na . . . . . . 16454 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 16454 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _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 CA _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 no _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _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 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 Tue Jun 9 13:21:54 2009 ; _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 BHPQYMZQTOCNFJ-UHFFFAOYAP InChIKey InChI 1.02b 16454 CA [Ca++] SMILES CACTVS 3.341 16454 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 16454 CA [Ca+2] SMILES ACDLabs 10.04 16454 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 16454 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16454 CA InChI=1/Ca/q+2 InChI InChI 1.02b 16454 CA 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 calcium 'SYSTEMATIC NAME' ACDLabs 10.04 16454 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16454 CA 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 CA . CA . . CA . . N 2 . . . . . . . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 . . 16454 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16454 _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 CR3 '[U-13C; U-15N]' . . 1 $CR3 . . 100 . . uM . . . . 16454 1 2 Tris-HCl 'natural abundance' . . . . . . 20 . . mM . . . . 16454 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16454 1 4 Ca2+ 'natural abundance' . . 3 $CA . . 10 . . mM . . . . 16454 1 5 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 16454 1 6 RBD 'natural abundance' . . 2 $RBD . . . 0 400 uM . . . . 16454 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16454 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16454 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 16454 _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 7.4 . pH 16454 1 temperature 298 . K 16454 1 stop_ save_ ############################ # Computer software used # ############################ save_Triad _Software.Sf_category software _Software.Sf_framecode Triad _Software.Entry_ID 16454 _Software.ID 1 _Software.Name Triad _Software.Version 6.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(Tripos, Inc., ST. Louis, MO)' . . 16454 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16454 1 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 16454 _Software.ID 2 _Software.Name DYANA _Software.Version 1.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Braun and Wuthrich' . . 16454 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16454 2 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 16454 _Software.ID 3 _Software.Name AMBER _Software.Version 5.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 16454 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16454 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 16454 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 16454 _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 DRX . 600 . . . 16454 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 16454 _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 . . . . . . . . . . . . . . . . 16454 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 16454 _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 16454 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 2 $DYANA . . 16454 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 140 . uM 16454 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 CR3 1 $CR3 16454 1 1 1 2 RBD 2 $RBD 16454 1 stop_ save_