data_18688 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18688 _Entry.Title ; Backbone amide chemical shifts of gp78 RING bound to Ube2g2:G2BR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-08-30 _Entry.Accession_date 2012-08-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Ranabir Das . . . 18688 2 Yuhe Linag . . . 18688 3 Jennifer Mariano . . . 18688 4 Jess Li . . . 18688 5 Tao Huang . . . 18688 6 Aaren King . . . 18688 7 Allan Weissman . . . 18688 8 Xinhua Ji . . . 18688 9 'R. Andrew' Byrd . . . 18688 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18688 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ligase . 18688 'RING domain' . 18688 ubiquitin . 18688 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18688 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 55 18688 '1H chemical shifts' 55 18688 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 2 . . 2014-02-19 2012-08-30 update BMRB 'update entry citation' 18688 1 . . 2013-08-26 2012-08-30 original author 'original release' 18688 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LXP 'BMRB Entry Tracking System' 18688 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18688 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23942235 _Citation.Full_citation . _Citation.Title 'Allosteric regulation of E2:E3 interactions promote a processive ubiquitination machine.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full 'The EMBO journal' _Citation.Journal_volume 32 _Citation.Journal_issue 18 _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 2504 _Citation.Page_last 2516 _Citation.Year 2013 _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 Ranabir Das . . . 18688 1 2 Yu-He Liang . . . 18688 1 3 Jennifer Mariano . . . 18688 1 4 Jess Li . . . 18688 1 5 Tao Huang . . . 18688 1 6 Aaren King . . . 18688 1 7 Sergey Tarasov . G. . 18688 1 8 Allan Weissman . M. . 18688 1 9 Xinhua Ji . . . 18688 1 10 'R. Andrew' Byrd . . . 18688 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18688 _Assembly.ID 1 _Assembly.Name 'gp78 RING bound to Ube2g2:G2BR' _Assembly.BMRB_code . _Assembly.Number_of_components 5 _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 entity_1 1 $entity_1 A . yes native no no . . . 18688 1 2 entity_2 2 $entity_2 B . yes native no no . . . 18688 1 3 entity_3 3 $entity_3 C . yes native no no . . . 18688 1 4 'ZINC ION_1' 4 $entity_ZN D . no native no no . . . 18688 1 5 'ZINC ION_2' 4 $entity_ZN E . no native no no . . . 18688 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordinate single . 3 . 3 HIS 32 32 ND1 . 4 . 4 ZN 1 1 ZN . . 358 HIS ND1 . . ZN . ZN 18688 1 2 coordinate single . 3 . 3 CYS 52 52 SG . 4 . 4 ZN 1 1 ZN . . 378 CYS SG . . ZN . ZN 18688 1 3 coordinate single . 3 . 3 CYS 49 49 SG . 4 . 4 ZN 1 1 ZN . . 375 CYS SG . . ZN . ZN 18688 1 4 coordinate single . 3 . 3 CYS 30 30 SG . 4 . 4 ZN 1 1 ZN . . 356 CYS SG . . ZN . ZN 18688 1 5 coordinate single . 3 . 3 HIS 35 35 ND1 . 5 . 4 ZN 1 1 ZN . . 361 HIS ND1 . . ZN . ZN 18688 1 6 coordinate single . 3 . 3 CYS 18 18 SG . 5 . 4 ZN 1 1 ZN . . 344 CYS SG . . ZN . ZN 18688 1 7 coordinate single . 3 . 3 CYS 38 38 SG . 5 . 4 ZN 1 1 ZN . . 364 CYS SG . . ZN . ZN 18688 1 8 coordinate single . 3 . 3 CYS 15 15 SG . 5 . 4 ZN 1 1 ZN . . 341 CYS SG . . ZN . ZN 18688 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 18688 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AGTALKRLMAEYKQLTLNPP EGIVAGPMNEENFFEWEALI MGPEDTCFEFGVFPAILSFP LDYPLSPPKMRFTCEMFHPN IYPDGRVCISILHAPGSAER WSPVQSVEKILLSVVSMLAE PNDESGANVDASKMWRDDRE QFYKIAKQIVQKSLGL ; _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 156 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17556.293 _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 REF XP_007486190 . "PREDICTED: ubiquitin-conjugating enzyme E2 G2 isoform X2 [Monodelphis domestica]" . . . . . 51.28 150 100.00 100.00 7.60e-50 . . . . 18688 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 . 18688 1 2 . GLY . 18688 1 3 . THR . 18688 1 4 . ALA . 18688 1 5 . LEU . 18688 1 6 . LYS . 18688 1 7 . ARG . 18688 1 8 . LEU . 18688 1 9 . MET . 18688 1 10 . ALA . 18688 1 11 . GLU . 18688 1 12 . TYR . 18688 1 13 . LYS . 18688 1 14 . GLN . 18688 1 15 . LEU . 18688 1 16 . THR . 18688 1 17 . LEU . 18688 1 18 . ASN . 18688 1 19 . PRO . 18688 1 20 . PRO . 18688 1 21 . GLU . 18688 1 22 . GLY . 18688 1 23 . ILE . 18688 1 24 . VAL . 18688 1 25 . ALA . 18688 1 26 . GLY . 18688 1 27 . PRO . 18688 1 28 . MET . 18688 1 29 . ASN . 18688 1 30 . GLU . 18688 1 31 . GLU . 18688 1 32 . ASN . 18688 1 33 . PHE . 18688 1 34 . PHE . 18688 1 35 . GLU . 18688 1 36 . TRP . 18688 1 37 . GLU . 18688 1 38 . ALA . 18688 1 39 . LEU . 18688 1 40 . ILE . 18688 1 41 . MET . 18688 1 42 . GLY . 18688 1 43 . PRO . 18688 1 44 . GLU . 18688 1 45 . ASP . 18688 1 46 . THR . 18688 1 47 . CYS . 18688 1 48 . PHE . 18688 1 49 . GLU . 18688 1 50 . PHE . 18688 1 51 . GLY . 18688 1 52 . VAL . 18688 1 53 . PHE . 18688 1 54 . PRO . 18688 1 55 . ALA . 18688 1 56 . ILE . 18688 1 57 . LEU . 18688 1 58 . SER . 18688 1 59 . PHE . 18688 1 60 . PRO . 18688 1 61 . LEU . 18688 1 62 . ASP . 18688 1 63 . TYR . 18688 1 64 . PRO . 18688 1 65 . LEU . 18688 1 66 . SER . 18688 1 67 . PRO . 18688 1 68 . PRO . 18688 1 69 . LYS . 18688 1 70 . MET . 18688 1 71 . ARG . 18688 1 72 . PHE . 18688 1 73 . THR . 18688 1 74 . CYS . 18688 1 75 . GLU . 18688 1 76 . MET . 18688 1 77 . PHE . 18688 1 78 . HIS . 18688 1 79 . PRO . 18688 1 80 . ASN . 18688 1 81 . ILE . 18688 1 82 . TYR . 18688 1 83 . PRO . 18688 1 84 . ASP . 18688 1 85 . GLY . 18688 1 86 . ARG . 18688 1 87 . VAL . 18688 1 88 . CYS . 18688 1 89 . ILE . 18688 1 90 . SER . 18688 1 91 . ILE . 18688 1 92 . LEU . 18688 1 93 . HIS . 18688 1 94 . ALA . 18688 1 95 . PRO . 18688 1 96 . GLY . 18688 1 97 . SER . 18688 1 98 . ALA . 18688 1 99 . GLU . 18688 1 100 . ARG . 18688 1 101 . TRP . 18688 1 102 . SER . 18688 1 103 . PRO . 18688 1 104 . VAL . 18688 1 105 . GLN . 18688 1 106 . SER . 18688 1 107 . VAL . 18688 1 108 . GLU . 18688 1 109 . LYS . 18688 1 110 . ILE . 18688 1 111 . LEU . 18688 1 112 . LEU . 18688 1 113 . SER . 18688 1 114 . VAL . 18688 1 115 . VAL . 18688 1 116 . SER . 18688 1 117 . MET . 18688 1 118 . LEU . 18688 1 119 . ALA . 18688 1 120 . GLU . 18688 1 121 . PRO . 18688 1 122 . ASN . 18688 1 123 . ASP . 18688 1 124 . GLU . 18688 1 125 . SER . 18688 1 126 . GLY . 18688 1 127 . ALA . 18688 1 128 . ASN . 18688 1 129 . VAL . 18688 1 130 . ASP . 18688 1 131 . ALA . 18688 1 132 . SER . 18688 1 133 . LYS . 18688 1 134 . MET . 18688 1 135 . TRP . 18688 1 136 . ARG . 18688 1 137 . ASP . 18688 1 138 . ASP . 18688 1 139 . ARG . 18688 1 140 . GLU . 18688 1 141 . GLN . 18688 1 142 . PHE . 18688 1 143 . TYR . 18688 1 144 . LYS . 18688 1 145 . ILE . 18688 1 146 . ALA . 18688 1 147 . LYS . 18688 1 148 . GLN . 18688 1 149 . ILE . 18688 1 150 . VAL . 18688 1 151 . GLN . 18688 1 152 . LYS . 18688 1 153 . SER . 18688 1 154 . LEU . 18688 1 155 . GLY . 18688 1 156 . LEU . 18688 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 18688 1 . GLY 2 2 18688 1 . THR 3 3 18688 1 . ALA 4 4 18688 1 . LEU 5 5 18688 1 . LYS 6 6 18688 1 . ARG 7 7 18688 1 . LEU 8 8 18688 1 . MET 9 9 18688 1 . ALA 10 10 18688 1 . GLU 11 11 18688 1 . TYR 12 12 18688 1 . LYS 13 13 18688 1 . GLN 14 14 18688 1 . LEU 15 15 18688 1 . THR 16 16 18688 1 . LEU 17 17 18688 1 . ASN 18 18 18688 1 . PRO 19 19 18688 1 . PRO 20 20 18688 1 . GLU 21 21 18688 1 . GLY 22 22 18688 1 . ILE 23 23 18688 1 . VAL 24 24 18688 1 . ALA 25 25 18688 1 . GLY 26 26 18688 1 . PRO 27 27 18688 1 . MET 28 28 18688 1 . ASN 29 29 18688 1 . GLU 30 30 18688 1 . GLU 31 31 18688 1 . ASN 32 32 18688 1 . PHE 33 33 18688 1 . PHE 34 34 18688 1 . GLU 35 35 18688 1 . TRP 36 36 18688 1 . GLU 37 37 18688 1 . ALA 38 38 18688 1 . LEU 39 39 18688 1 . ILE 40 40 18688 1 . MET 41 41 18688 1 . GLY 42 42 18688 1 . PRO 43 43 18688 1 . GLU 44 44 18688 1 . ASP 45 45 18688 1 . THR 46 46 18688 1 . CYS 47 47 18688 1 . PHE 48 48 18688 1 . GLU 49 49 18688 1 . PHE 50 50 18688 1 . GLY 51 51 18688 1 . VAL 52 52 18688 1 . PHE 53 53 18688 1 . PRO 54 54 18688 1 . ALA 55 55 18688 1 . ILE 56 56 18688 1 . LEU 57 57 18688 1 . SER 58 58 18688 1 . PHE 59 59 18688 1 . PRO 60 60 18688 1 . LEU 61 61 18688 1 . ASP 62 62 18688 1 . TYR 63 63 18688 1 . PRO 64 64 18688 1 . LEU 65 65 18688 1 . SER 66 66 18688 1 . PRO 67 67 18688 1 . PRO 68 68 18688 1 . LYS 69 69 18688 1 . MET 70 70 18688 1 . ARG 71 71 18688 1 . PHE 72 72 18688 1 . THR 73 73 18688 1 . CYS 74 74 18688 1 . GLU 75 75 18688 1 . MET 76 76 18688 1 . PHE 77 77 18688 1 . HIS 78 78 18688 1 . PRO 79 79 18688 1 . ASN 80 80 18688 1 . ILE 81 81 18688 1 . TYR 82 82 18688 1 . PRO 83 83 18688 1 . ASP 84 84 18688 1 . GLY 85 85 18688 1 . ARG 86 86 18688 1 . VAL 87 87 18688 1 . CYS 88 88 18688 1 . ILE 89 89 18688 1 . SER 90 90 18688 1 . ILE 91 91 18688 1 . LEU 92 92 18688 1 . HIS 93 93 18688 1 . ALA 94 94 18688 1 . PRO 95 95 18688 1 . GLY 96 96 18688 1 . SER 97 97 18688 1 . ALA 98 98 18688 1 . GLU 99 99 18688 1 . ARG 100 100 18688 1 . TRP 101 101 18688 1 . SER 102 102 18688 1 . PRO 103 103 18688 1 . VAL 104 104 18688 1 . GLN 105 105 18688 1 . SER 106 106 18688 1 . VAL 107 107 18688 1 . GLU 108 108 18688 1 . LYS 109 109 18688 1 . ILE 110 110 18688 1 . LEU 111 111 18688 1 . LEU 112 112 18688 1 . SER 113 113 18688 1 . VAL 114 114 18688 1 . VAL 115 115 18688 1 . SER 116 116 18688 1 . MET 117 117 18688 1 . LEU 118 118 18688 1 . ALA 119 119 18688 1 . GLU 120 120 18688 1 . PRO 121 121 18688 1 . ASN 122 122 18688 1 . ASP 123 123 18688 1 . GLU 124 124 18688 1 . SER 125 125 18688 1 . GLY 126 126 18688 1 . ALA 127 127 18688 1 . ASN 128 128 18688 1 . VAL 129 129 18688 1 . ASP 130 130 18688 1 . ALA 131 131 18688 1 . SER 132 132 18688 1 . LYS 133 133 18688 1 . MET 134 134 18688 1 . TRP 135 135 18688 1 . ARG 136 136 18688 1 . ASP 137 137 18688 1 . ASP 138 138 18688 1 . ARG 139 139 18688 1 . GLU 140 140 18688 1 . GLN 141 141 18688 1 . PHE 142 142 18688 1 . TYR 143 143 18688 1 . LYS 144 144 18688 1 . ILE 145 145 18688 1 . ALA 146 146 18688 1 . LYS 147 147 18688 1 . GLN 148 148 18688 1 . ILE 149 149 18688 1 . VAL 150 150 18688 1 . GLN 151 151 18688 1 . LYS 152 152 18688 1 . SER 153 153 18688 1 . LEU 154 154 18688 1 . GLY 155 155 18688 1 . LEU 156 156 18688 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 18688 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SADERQRMLVQRKDELLQQA RKRFLNK ; _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 27 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3365.939 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 2LXP . "Nmr Structure Of Two Domains In Ubiquitin Ligase Gp78, Ring And G2br, Bound To Its Conjugating Enzyme Ube2g" . . . . . 100.00 27 100.00 100.00 5.47e-08 . . . . 18688 2 2 no PDB 3FSH . "Crystal Structure Of The Ubiquitin Conjugating Enzyme Ube2g2 Bound To The G2br Domain Of Ubiquitin Ligase Gp78" . . . . . 100.00 28 100.00 100.00 4.74e-08 . . . . 18688 2 3 no PDB 3H8K . "Crystal Structure Of Ube2g2 Complxed With The G2br Domain Of Gp78 At 1.8-A Resolution" . . . . . 100.00 28 100.00 100.00 5.00e-08 . . . . 18688 2 4 no PDB 4LAD . "Crystal Structure Of The Ube2g2:ring-g2br Complex" . . . . . 100.00 150 100.00 100.00 8.69e-10 . . . . 18688 2 5 no DBJ BAE01277 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 552 100.00 100.00 3.17e-07 . . . . 18688 2 6 no DBJ BAK63135 . "autocrine motility factor receptor, isoform 2 [Pan troglodytes]" . . . . . 100.00 548 100.00 100.00 3.12e-07 . . . . 18688 2 7 no GB AAA36671 . "autocrine motility factor receptor [Homo sapiens]" . . . . . 62.96 323 100.00 100.00 5.62e-02 . . . . 18688 2 8 no GB AAA79362 . "autocrine motility factor receptor [Homo sapiens]" . . . . . 62.96 323 100.00 100.00 5.62e-02 . . . . 18688 2 9 no GB AAD56722 . "autocrine motility factor receptor [Homo sapiens]" . . . . . 100.00 643 100.00 100.00 3.57e-07 . . . . 18688 2 10 no GB AAH17043 . "AMFR protein, partial [Homo sapiens]" . . . . . 100.00 292 100.00 100.00 1.84e-07 . . . . 18688 2 11 no GB AAH56869 . "AMFR protein, partial [Homo sapiens]" . . . . . 100.00 202 100.00 100.00 3.82e-08 . . . . 18688 2 12 no REF NP_001135 . "E3 ubiquitin-protein ligase AMFR [Homo sapiens]" . . . . . 100.00 643 100.00 100.00 3.57e-07 . . . . 18688 2 13 no REF NP_001267243 . "E3 ubiquitin-protein ligase AMFR [Pan troglodytes]" . . . . . 100.00 548 100.00 100.00 3.12e-07 . . . . 18688 2 14 no REF XP_001091030 . "PREDICTED: autocrine motility factor receptor, isoform 2 [Macaca mulatta]" . . . . . 100.00 552 100.00 100.00 3.05e-07 . . . . 18688 2 15 no REF XP_002761010 . "PREDICTED: E3 ubiquitin-protein ligase AMFR isoform X1 [Callithrix jacchus]" . . . . . 100.00 643 100.00 100.00 2.89e-07 . . . . 18688 2 16 no REF XP_003263117 . "PREDICTED: E3 ubiquitin-protein ligase AMFR [Nomascus leucogenys]" . . . . . 100.00 580 100.00 100.00 3.34e-07 . . . . 18688 2 17 no SP Q9UKV5 . "RecName: Full=E3 ubiquitin-protein ligase AMFR; AltName: Full=Autocrine motility factor receptor; Short=AMF receptor; AltName: " . . . . . 100.00 643 100.00 100.00 3.57e-07 . . . . 18688 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 . SER . 18688 2 2 . ALA . 18688 2 3 . ASP . 18688 2 4 . GLU . 18688 2 5 . ARG . 18688 2 6 . GLN . 18688 2 7 . ARG . 18688 2 8 . MET . 18688 2 9 . LEU . 18688 2 10 . VAL . 18688 2 11 . GLN . 18688 2 12 . ARG . 18688 2 13 . LYS . 18688 2 14 . ASP . 18688 2 15 . GLU . 18688 2 16 . LEU . 18688 2 17 . LEU . 18688 2 18 . GLN . 18688 2 19 . GLN . 18688 2 20 . ALA . 18688 2 21 . ARG . 18688 2 22 . LYS . 18688 2 23 . ARG . 18688 2 24 . PHE . 18688 2 25 . LEU . 18688 2 26 . ASN . 18688 2 27 . LYS . 18688 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 . SER 1 1 18688 2 . ALA 2 2 18688 2 . ASP 3 3 18688 2 . GLU 4 4 18688 2 . ARG 5 5 18688 2 . GLN 6 6 18688 2 . ARG 7 7 18688 2 . MET 8 8 18688 2 . LEU 9 9 18688 2 . VAL 10 10 18688 2 . GLN 11 11 18688 2 . ARG 12 12 18688 2 . LYS 13 13 18688 2 . ASP 14 14 18688 2 . GLU 15 15 18688 2 . LEU 16 16 18688 2 . LEU 17 17 18688 2 . GLN 18 18 18688 2 . GLN 19 19 18688 2 . ALA 20 20 18688 2 . ARG 21 21 18688 2 . LYS 22 22 18688 2 . ARG 23 23 18688 2 . PHE 24 24 18688 2 . LEU 25 25 18688 2 . ASN 26 26 18688 2 . LYS 27 27 18688 2 stop_ save_ save_entity_3 _Entity.Sf_category entity _Entity.Sf_framecode entity_3 _Entity.Entry_ID 18688 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name entity_3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AVATPEELAVNNDDCAICWD SMQAARKLPCGHLFHNSCLR SWLEQDTSCPTCRMSLNI ; _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 58 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6473.385 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 BMRB 18677 . gp78RING . . . . . 100.00 58 100.00 100.00 3.33e-34 . . . . 18688 3 2 no PDB 2LXH . "Nmr Structure Of The Ring Domain In Ubiquitin Ligase Gp78" . . . . . 100.00 81 100.00 100.00 1.10e-34 . . . . 18688 3 3 no PDB 2LXP . "Nmr Structure Of Two Domains In Ubiquitin Ligase Gp78, Ring And G2br, Bound To Its Conjugating Enzyme Ube2g" . . . . . 100.00 58 100.00 100.00 3.33e-34 . . . . 18688 3 4 no PDB 4LAD . "Crystal Structure Of The Ube2g2:ring-g2br Complex" . . . . . 100.00 150 100.00 100.00 1.09e-36 . . . . 18688 3 5 no DBJ BAE01277 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 552 100.00 100.00 4.97e-33 . . . . 18688 3 6 no DBJ BAE34049 . "unnamed protein product [Mus musculus]" . . . . . 100.00 643 100.00 100.00 1.43e-32 . . . . 18688 3 7 no DBJ BAE41974 . "unnamed protein product [Mus musculus]" . . . . . 100.00 639 100.00 100.00 1.45e-32 . . . . 18688 3 8 no DBJ BAE87377 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 291 100.00 100.00 2.25e-33 . . . . 18688 3 9 no DBJ BAK63135 . "autocrine motility factor receptor, isoform 2 [Pan troglodytes]" . . . . . 100.00 548 100.00 100.00 3.64e-33 . . . . 18688 3 10 no GB AAD56721 . "autocrine motility factor receptor [Mus musculus]" . . . . . 100.00 643 100.00 100.00 1.37e-32 . . . . 18688 3 11 no GB AAD56722 . "autocrine motility factor receptor [Homo sapiens]" . . . . . 100.00 643 100.00 100.00 1.36e-32 . . . . 18688 3 12 no GB AAH17043 . "AMFR protein, partial [Homo sapiens]" . . . . . 56.90 292 100.00 100.00 1.47e-15 . . . . 18688 3 13 no GB AAH34538 . "Autocrine motility factor receptor [Mus musculus]" . . . . . 100.00 639 100.00 100.00 1.45e-32 . . . . 18688 3 14 no GB AAH40338 . "Autocrine motility factor receptor [Mus musculus]" . . . . . 100.00 639 100.00 100.00 1.45e-32 . . . . 18688 3 15 no REF NP_001039439 . "E3 ubiquitin-protein ligase AMFR [Bos taurus]" . . . . . 100.00 645 100.00 100.00 1.87e-32 . . . . 18688 3 16 no REF NP_001135 . "E3 ubiquitin-protein ligase AMFR [Homo sapiens]" . . . . . 100.00 643 100.00 100.00 1.28e-32 . . . . 18688 3 17 no REF NP_001267243 . "E3 ubiquitin-protein ligase AMFR [Pan troglodytes]" . . . . . 100.00 548 100.00 100.00 3.64e-33 . . . . 18688 3 18 no REF NP_001271666 . "uncharacterized protein LOC101925036 precursor [Macaca fascicularis]" . . . . . 100.00 291 100.00 100.00 2.25e-33 . . . . 18688 3 19 no REF NP_035917 . "E3 ubiquitin-protein ligase AMFR [Mus musculus]" . . . . . 100.00 639 100.00 100.00 1.45e-32 . . . . 18688 3 20 no SP Q9R049 . "RecName: Full=E3 ubiquitin-protein ligase AMFR; AltName: Full=Autocrine motility factor receptor; Short=AMF receptor [Mus muscu" . . . . . 100.00 643 100.00 100.00 1.43e-32 . . . . 18688 3 21 no SP Q9UKV5 . "RecName: Full=E3 ubiquitin-protein ligase AMFR; AltName: Full=Autocrine motility factor receptor; Short=AMF receptor; AltName: " . . . . . 100.00 643 100.00 100.00 1.28e-32 . . . . 18688 3 22 no TPG DAA20037 . "TPA: autocrine motility factor receptor [Bos taurus]" . . . . . 100.00 590 100.00 100.00 1.27e-32 . . . . 18688 3 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 1 327 ALA . 18688 3 2 328 VAL . 18688 3 3 329 ALA . 18688 3 4 330 THR . 18688 3 5 331 PRO . 18688 3 6 332 GLU . 18688 3 7 333 GLU . 18688 3 8 334 LEU . 18688 3 9 335 ALA . 18688 3 10 336 VAL . 18688 3 11 337 ASN . 18688 3 12 338 ASN . 18688 3 13 339 ASP . 18688 3 14 340 ASP . 18688 3 15 341 CYS . 18688 3 16 342 ALA . 18688 3 17 343 ILE . 18688 3 18 344 CYS . 18688 3 19 345 TRP . 18688 3 20 346 ASP . 18688 3 21 347 SER . 18688 3 22 348 MET . 18688 3 23 349 GLN . 18688 3 24 350 ALA . 18688 3 25 351 ALA . 18688 3 26 352 ARG . 18688 3 27 353 LYS . 18688 3 28 354 LEU . 18688 3 29 355 PRO . 18688 3 30 356 CYS . 18688 3 31 357 GLY . 18688 3 32 358 HIS . 18688 3 33 359 LEU . 18688 3 34 360 PHE . 18688 3 35 361 HIS . 18688 3 36 362 ASN . 18688 3 37 363 SER . 18688 3 38 364 CYS . 18688 3 39 365 LEU . 18688 3 40 366 ARG . 18688 3 41 367 SER . 18688 3 42 368 TRP . 18688 3 43 369 LEU . 18688 3 44 370 GLU . 18688 3 45 371 GLN . 18688 3 46 372 ASP . 18688 3 47 373 THR . 18688 3 48 374 SER . 18688 3 49 375 CYS . 18688 3 50 376 PRO . 18688 3 51 377 THR . 18688 3 52 378 CYS . 18688 3 53 379 ARG . 18688 3 54 380 MET . 18688 3 55 381 SER . 18688 3 56 382 LEU . 18688 3 57 383 ASN . 18688 3 58 384 ILE . 18688 3 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 18688 3 . VAL 2 2 18688 3 . ALA 3 3 18688 3 . THR 4 4 18688 3 . PRO 5 5 18688 3 . GLU 6 6 18688 3 . GLU 7 7 18688 3 . LEU 8 8 18688 3 . ALA 9 9 18688 3 . VAL 10 10 18688 3 . ASN 11 11 18688 3 . ASN 12 12 18688 3 . ASP 13 13 18688 3 . ASP 14 14 18688 3 . CYS 15 15 18688 3 . ALA 16 16 18688 3 . ILE 17 17 18688 3 . CYS 18 18 18688 3 . TRP 19 19 18688 3 . ASP 20 20 18688 3 . SER 21 21 18688 3 . MET 22 22 18688 3 . GLN 23 23 18688 3 . ALA 24 24 18688 3 . ALA 25 25 18688 3 . ARG 26 26 18688 3 . LYS 27 27 18688 3 . LEU 28 28 18688 3 . PRO 29 29 18688 3 . CYS 30 30 18688 3 . GLY 31 31 18688 3 . HIS 32 32 18688 3 . LEU 33 33 18688 3 . PHE 34 34 18688 3 . HIS 35 35 18688 3 . ASN 36 36 18688 3 . SER 37 37 18688 3 . CYS 38 38 18688 3 . LEU 39 39 18688 3 . ARG 40 40 18688 3 . SER 41 41 18688 3 . TRP 42 42 18688 3 . LEU 43 43 18688 3 . GLU 44 44 18688 3 . GLN 45 45 18688 3 . ASP 46 46 18688 3 . THR 47 47 18688 3 . SER 48 48 18688 3 . CYS 49 49 18688 3 . PRO 50 50 18688 3 . THR 51 51 18688 3 . CYS 52 52 18688 3 . ARG 53 53 18688 3 . MET 54 54 18688 3 . SER 55 55 18688 3 . LEU 56 56 18688 3 . ASN 57 57 18688 3 . ILE 58 58 18688 3 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 18688 _Entity.ID 4 _Entity.BMRB_code ZN _Entity.Name entity_ZN _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 4 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 18688 4 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 18688 4 ZN 'Three letter code' 18688 4 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 1 ZN $chem_comp_ZN 18688 4 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 18688 4 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 18688 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18688 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 18688 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET3a . . . . . . 18688 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 18688 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _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 . _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/Zn/q+2 InChI InChI 1.03 18688 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 18688 ZN [Zn++] SMILES CACTVS 3.341 18688 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 18688 ZN [Zn+2] SMILES ACDLabs 10.04 18688 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 18688 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18688 ZN 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 zinc 'SYSTEMATIC NAME' ACDLabs 10.04 18688 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18688 ZN 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 ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 18688 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18688 _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 gp78RING '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . . 0.7 1 mM . . . . 18688 1 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 18688 1 3 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 18688 1 4 'sodium azide' 'natural abundance' . . . . . . 0.2 . . mM . . . . 18688 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 18688 _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 'ionic strength' 0 . M 18688 1 pH 7.2 . pH 18688 1 pressure 1 . atm 18688 1 temperature 298 . K 18688 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 18688 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 18688 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18688 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18688 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18688 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18688 2 'data analysis' 18688 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 18688 _Software.ID 3 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18688 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18688 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18688 _Software.ID 4 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Alexandre Bonvin' . . 18688 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18688 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_V600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode V600 _NMR_spectrometer.Entry_ID 18688 _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_V500 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode V500 _NMR_spectrometer.Entry_ID 18688 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18688 _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 V600 Varian INOVA . 600 . . . 18688 1 2 V500 Varian INOVA . 500 . . . 18688 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 18688 _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 . . . . . . . . . . . . . . . . . . . . . 18688 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18688 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18688 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18688 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18688 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18688 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18688 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18688 1 9 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18688 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18688 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18688 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18688 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18688 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18688 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18688 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18688 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18688 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 3 3 1 1 ALA H H 1 8.359 0.05 . 1 . . . C 327 ALA H1 . 18688 1 2 . 3 3 1 1 ALA N N 15 126.027 0.2 . 1 . . . C 327 ALA N . 18688 1 3 . 3 3 2 2 VAL H H 1 8.328 0.05 . 1 . . . C 328 VAL H . 18688 1 4 . 3 3 2 2 VAL N N 15 120.328 0.2 . 1 . . . C 328 VAL N . 18688 1 5 . 3 3 3 3 ALA H H 1 8.471 0.05 . 1 . . . C 329 ALA H . 18688 1 6 . 3 3 3 3 ALA N N 15 130.69 0.2 . 1 . . . C 329 ALA N . 18688 1 7 . 3 3 4 4 THR H H 1 9.272 0.05 . 1 . . . C 330 THR H . 18688 1 8 . 3 3 4 4 THR N N 15 116.661 0.2 . 1 . . . C 330 THR N . 18688 1 9 . 3 3 6 6 GLU H H 1 8.552 0.05 . 1 . . . C 332 GLU H . 18688 1 10 . 3 3 6 6 GLU N N 15 118.312 0.2 . 1 . . . C 332 GLU N . 18688 1 11 . 3 3 7 7 GLU H H 1 7.774 0.05 . 1 . . . C 333 GLU H . 18688 1 12 . 3 3 7 7 GLU N N 15 120.835 0.2 . 1 . . . C 333 GLU N . 18688 1 13 . 3 3 8 8 LEU H H 1 8.04 0.05 . 1 . . . C 334 LEU H . 18688 1 14 . 3 3 8 8 LEU N N 15 120.482 0.2 . 1 . . . C 334 LEU N . 18688 1 15 . 3 3 9 9 ALA H H 1 7.927 0.05 . 1 . . . C 335 ALA H . 18688 1 16 . 3 3 9 9 ALA N N 15 122.471 0.2 . 1 . . . C 335 ALA N . 18688 1 17 . 3 3 10 10 VAL H H 1 7.521 0.05 . 1 . . . C 336 VAL H . 18688 1 18 . 3 3 10 10 VAL N N 15 114.882 0.2 . 1 . . . C 336 VAL N . 18688 1 19 . 3 3 11 11 ASN H H 1 7.381 0.05 . 1 . . . C 337 ASN H . 18688 1 20 . 3 3 11 11 ASN N N 15 119.41 0.2 . 1 . . . C 337 ASN N . 18688 1 21 . 3 3 12 12 ASN H H 1 8.052 0.05 . 1 . . . C 338 ASN H . 18688 1 22 . 3 3 12 12 ASN N N 15 117.204 0.2 . 1 . . . C 338 ASN N . 18688 1 23 . 3 3 13 13 ASP H H 1 7.732 0.05 . 1 . . . C 339 ASP H . 18688 1 24 . 3 3 13 13 ASP N N 15 117.72 0.2 . 1 . . . C 339 ASP N . 18688 1 25 . 3 3 14 14 ASP H H 1 8.318 0.05 . 1 . . . C 340 ASP H . 18688 1 26 . 3 3 14 14 ASP N N 15 120.515 0.2 . 1 . . . C 340 ASP N . 18688 1 27 . 3 3 15 15 CYS H H 1 8.167 0.05 . 1 . . . C 341 CYS H . 18688 1 28 . 3 3 15 15 CYS N N 15 124.283 0.2 . 1 . . . C 341 CYS N . 18688 1 29 . 3 3 16 16 ALA H H 1 8.739 0.05 . 1 . . . C 342 ALA H . 18688 1 30 . 3 3 16 16 ALA N N 15 131.638 0.2 . 1 . . . C 342 ALA N . 18688 1 31 . 3 3 17 17 ILE H H 1 8.324 0.05 . 1 . . . C 343 ILE H . 18688 1 32 . 3 3 17 17 ILE N N 15 117.904 0.2 . 1 . . . C 343 ILE N . 18688 1 33 . 3 3 18 18 CYS H H 1 7.423 0.05 . 1 . . . C 344 CYS H . 18688 1 34 . 3 3 18 18 CYS N N 15 116.54 0.2 . 1 . . . C 344 CYS N . 18688 1 35 . 3 3 19 19 TRP H H 1 8.328 0.05 . 1 . . . C 345 TRP H . 18688 1 36 . 3 3 19 19 TRP N N 15 120.328 0.2 . 1 . . . C 345 TRP N . 18688 1 37 . 3 3 20 20 ASP H H 1 8.636 0.05 . 1 . . . C 346 ASP H . 18688 1 38 . 3 3 20 20 ASP N N 15 121.122 0.2 . 1 . . . C 346 ASP N . 18688 1 39 . 3 3 21 21 SER H H 1 8.57 0.05 . 1 . . . C 347 SER H . 18688 1 40 . 3 3 21 21 SER N N 15 117.041 0.2 . 1 . . . C 347 SER N . 18688 1 41 . 3 3 22 22 MET H H 1 9.047 0.05 . 1 . . . C 348 MET H . 18688 1 42 . 3 3 22 22 MET N N 15 121.175 0.2 . 1 . . . C 348 MET N . 18688 1 43 . 3 3 23 23 GLN H H 1 9.407 0.05 . 1 . . . C 349 GLN H . 18688 1 44 . 3 3 23 23 GLN N N 15 123.624 0.2 . 1 . . . C 349 GLN N . 18688 1 45 . 3 3 24 24 ALA H H 1 7.715 0.05 . 1 . . . C 350 ALA H . 18688 1 46 . 3 3 24 24 ALA N N 15 121.904 0.2 . 1 . . . C 350 ALA N . 18688 1 47 . 3 3 25 25 ALA H H 1 9.024 0.05 . 1 . . . C 351 ALA H . 18688 1 48 . 3 3 25 25 ALA N N 15 122.33 0.2 . 1 . . . C 351 ALA N . 18688 1 49 . 3 3 26 26 ARG H H 1 8.929 0.05 . 1 . . . C 352 ARG H . 18688 1 50 . 3 3 26 26 ARG N N 15 119.48 0.2 . 1 . . . C 352 ARG N . 18688 1 51 . 3 3 27 27 LYS H H 1 8.798 0.05 . 1 . . . C 353 LYS H . 18688 1 52 . 3 3 27 27 LYS N N 15 122.807 0.2 . 1 . . . C 353 LYS N . 18688 1 53 . 3 3 28 28 LEU H H 1 8.575 0.05 . 1 . . . C 354 LEU H . 18688 1 54 . 3 3 28 28 LEU N N 15 126.556 0.2 . 1 . . . C 354 LEU N . 18688 1 55 . 3 3 30 30 CYS H H 1 7.563 0.05 . 1 . . . C 356 CYS H . 18688 1 56 . 3 3 30 30 CYS N N 15 113.852 0.2 . 1 . . . C 356 CYS N . 18688 1 57 . 3 3 31 31 GLY H H 1 8.28 0.05 . 1 . . . C 357 GLY H . 18688 1 58 . 3 3 31 31 GLY N N 15 111.852 0.2 . 1 . . . C 357 GLY N . 18688 1 59 . 3 3 32 32 HIS H H 1 7.819 0.05 . 1 . . . C 358 HIS H . 18688 1 60 . 3 3 32 32 HIS N N 15 122.877 0.2 . 1 . . . C 358 HIS N . 18688 1 61 . 3 3 33 33 LEU H H 1 8.023 0.05 . 1 . . . C 359 LEU H . 18688 1 62 . 3 3 33 33 LEU N N 15 122.001 0.2 . 1 . . . C 359 LEU N . 18688 1 63 . 3 3 34 34 PHE H H 1 8.007 0.05 . 1 . . . C 360 PHE H . 18688 1 64 . 3 3 34 34 PHE N N 15 113.998 0.2 . 1 . . . C 360 PHE N . 18688 1 65 . 3 3 35 35 HIS H H 1 7.861 0.05 . 1 . . . C 361 HIS H . 18688 1 66 . 3 3 35 35 HIS N N 15 118.074 0.2 . 1 . . . C 361 HIS N . 18688 1 67 . 3 3 36 36 ASN H H 1 9.44 0.05 . 1 . . . C 362 ASN H . 18688 1 68 . 3 3 36 36 ASN N N 15 121.428 0.2 . 1 . . . C 362 ASN N . 18688 1 69 . 3 3 37 37 SER H H 1 8.994 0.05 . 1 . . . C 363 SER H . 18688 1 70 . 3 3 37 37 SER N N 15 113.65 0.2 . 1 . . . C 363 SER N . 18688 1 71 . 3 3 38 38 CYS H H 1 6.757 0.05 . 1 . . . C 364 CYS H . 18688 1 72 . 3 3 38 38 CYS N N 15 122.902 0.2 . 1 . . . C 364 CYS N . 18688 1 73 . 3 3 39 39 LEU H H 1 8.441 0.05 . 1 . . . C 365 LEU H . 18688 1 74 . 3 3 39 39 LEU N N 15 120.437 0.2 . 1 . . . C 365 LEU N . 18688 1 75 . 3 3 40 40 ARG H H 1 8.278 0.05 . 1 . . . C 366 ARG H . 18688 1 76 . 3 3 40 40 ARG N N 15 119.135 0.2 . 1 . . . C 366 ARG N . 18688 1 77 . 3 3 41 41 SER H H 1 7.613 0.05 . 1 . . . C 367 SER H . 18688 1 78 . 3 3 41 41 SER N N 15 112.336 0.2 . 1 . . . C 367 SER N . 18688 1 79 . 3 3 42 42 TRP H H 1 8.375 0.05 . 1 . . . C 368 TRP H . 18688 1 80 . 3 3 42 42 TRP N N 15 125.008 0.2 . 1 . . . C 368 TRP N . 18688 1 81 . 3 3 43 43 LEU H H 1 8.447 0.05 . 1 . . . C 369 LEU H . 18688 1 82 . 3 3 43 43 LEU N N 15 117.157 0.2 . 1 . . . C 369 LEU N . 18688 1 83 . 3 3 44 44 GLU H H 1 7.184 0.05 . 1 . . . C 370 GLU H . 18688 1 84 . 3 3 44 44 GLU N N 15 116.296 0.2 . 1 . . . C 370 GLU N . 18688 1 85 . 3 3 45 45 GLN H H 1 7.487 0.05 . 1 . . . C 371 GLN H . 18688 1 86 . 3 3 45 45 GLN N N 15 113.164 0.2 . 1 . . . C 371 GLN N . 18688 1 87 . 3 3 46 46 ASP H H 1 7.836 0.05 . 1 . . . C 372 ASP H . 18688 1 88 . 3 3 46 46 ASP N N 15 122.188 0.2 . 1 . . . C 372 ASP N . 18688 1 89 . 3 3 47 47 THR H H 1 7.805 0.05 . 1 . . . C 373 THR H . 18688 1 90 . 3 3 47 47 THR N N 15 111.687 0.2 . 1 . . . C 373 THR N . 18688 1 91 . 3 3 48 48 SER H H 1 8.205 0.05 . 1 . . . C 374 SER H . 18688 1 92 . 3 3 48 48 SER N N 15 117.61 0.2 . 1 . . . C 374 SER N . 18688 1 93 . 3 3 49 49 CYS H H 1 8.404 0.05 . 1 . . . C 375 CYS H . 18688 1 94 . 3 3 49 49 CYS N N 15 122.885 0.2 . 1 . . . C 375 CYS N . 18688 1 95 . 3 3 51 51 THR H H 1 8.992 0.05 . 1 . . . C 377 THR H . 18688 1 96 . 3 3 51 51 THR N N 15 116.35 0.2 . 1 . . . C 377 THR N . 18688 1 97 . 3 3 52 52 CYS H H 1 8.549 0.05 . 1 . . . C 378 CYS H . 18688 1 98 . 3 3 52 52 CYS N N 15 121.356 0.2 . 1 . . . C 378 CYS N . 18688 1 99 . 3 3 53 53 ARG H H 1 7.806 0.05 . 1 . . . C 379 ARG H . 18688 1 100 . 3 3 53 53 ARG N N 15 116.035 0.2 . 1 . . . C 379 ARG N . 18688 1 101 . 3 3 54 54 MET H H 1 8.025 0.05 . 1 . . . C 380 MET H . 18688 1 102 . 3 3 54 54 MET N N 15 122.001 0.2 . 1 . . . C 380 MET N . 18688 1 103 . 3 3 55 55 SER H H 1 8.784 0.05 . 1 . . . C 381 SER H . 18688 1 104 . 3 3 55 55 SER N N 15 121.461 0.2 . 1 . . . C 381 SER N . 18688 1 105 . 3 3 56 56 LEU H H 1 8.459 0.05 . 1 . . . C 382 LEU H . 18688 1 106 . 3 3 56 56 LEU N N 15 125.216 0.2 . 1 . . . C 382 LEU N . 18688 1 107 . 3 3 57 57 ASN H H 1 8.416 0.05 . 1 . . . C 383 ASN H . 18688 1 108 . 3 3 57 57 ASN N N 15 119.776 0.2 . 1 . . . C 383 ASN N . 18688 1 109 . 3 3 58 58 ILE H H 1 8.107 0.05 . 1 . . . C 384 ILE H . 18688 1 110 . 3 3 58 58 ILE N N 15 121.407 0.2 . 1 . . . C 384 ILE N . 18688 1 stop_ save_