data_19730 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19730 _Entry.Title ; Structural Mapping of a Chaperone Substrate Interaction Surface ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-01-10 _Entry.Accession_date 2014-01-10 _Entry.Last_release_date 2014-04-11 _Entry.Original_release_date 2014-04-11 _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 'Skp alanine side chain chemical shifts when bound to its substrate tOmpA' _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 Morgane Callon . . . 19730 2 Bjoern Burmann . M. . 19730 3 Sebastian Hiller . . . 19730 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Hiller group, Biozentrum, Basel' . 19730 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19730 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 13 19730 '1H chemical shifts' 39 19730 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 . . 2014-04-11 2014-01-10 original author . 19730 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19407 'Trimeric Skp' 19730 BMRB 19409 'Trimeric Skp with bound tOmpA' 19730 BMRB 19410 'tOmpA within the trimeric chaperone Skp' 19730 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19730 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24700611 _Citation.Full_citation . _Citation.Title 'Structural Mapping of a Chaperone-Substrate Interaction Surface.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Angew. Chem. Int. Ed. Engl.' _Citation.Journal_name_full 'Angewandte Chemie (International ed. in English)' _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year 2014 _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 Morgane Callon . . . 19730 1 2 Bjorn Burmann . M. . 19730 1 3 Sebastian Hiller . . . 19730 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19730 _Assembly.ID 1 _Assembly.Name 'trimeric Skp with bound tOmpA' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 73290 _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 'Skp, chain 1' 1 $Escherichia_Coli_Skp A . yes native no no . . . 19730 1 2 'Skp, chain 2' 1 $Escherichia_Coli_Skp B . yes native no no . . . 19730 1 3 'Skp, chain 3' 1 $Escherichia_Coli_Skp C . yes native no no . . . 19730 1 4 tOmpA 2 $Escherichia_Coli_tOmpA D . no unfolded no no . . . 19730 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes BMRB 19409 . . 'solution NMR' . . . 19730 1 yes BMRB 19410 . . 'solution NMR' . . . 19730 1 yes BMRB 19733 . . 'solution NMR' . . . 19730 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Escherichia_Coli_Skp _Entity.Sf_category entity _Entity.Sf_framecode Escherichia_Coli_Skp _Entity.Entry_ID 19730 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Escherichia_Coli_Skp _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 ; MGSSHHHHHHSSGLVPRGSH MADKIAIVNMGSLFQQVAQK TGVSNTLENEFKGRASELQR METDLQAKMKKLQSMKAGSD RTKLEKDVMAQRQTFAQKAQ AFEQDRARRSNEERGKLVTR IQTAVKSVANSQDIDLVVDA NAVAYNSSDVKDITADVLKQ VK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'entry_citation: numbering starts at residue 22' _Entity.Polymer_author_seq_details 'native processed E. coli Skp (residues 21 - 161) hexahistidin-tag and thrombin cleavage site' _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 162 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Escherichia coli Skp' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes PDB 1SG2 . "Crystal Structure of the Periplasmic Chaperone Skp" . . . . . . . . . . . . . . 19730 1 2 yes PDB 1U2M . "Crystal Structure of Skp" . . . . . . . . . . . . . . 19730 1 3 yes BMRB 19409 . Escherichia_Coli_Skp . . . . . . . . . . . . . . 19730 1 4 yes BMRB 19410 . Escherichia_Coli_Skp . . . . . . . . . . . . . . 19730 1 5 yes UNP P0AEU7 . SKP_ECOLI . . . . . . . . . . . . . . 19730 1 6 yes BMRB 19407 . Escherichia_Coli_Skp . . . . . . . . . . . . . . 19730 1 7 no BMRB 19407 . Escherichia_Coli_Skp . . . . . 100.00 234 100.00 100.00 2.06e-111 . . . . 19730 1 8 no BMRB 19408 . Escherichia_Coli_Skp . . . . . 100.00 234 100.00 100.00 2.06e-111 . . . . 19730 1 9 no BMRB 19409 . Escherichia_Coli_Skp . . . . . 100.00 162 100.00 100.00 1.36e-112 . . . . 19730 1 10 no BMRB 19733 . Escherichia_Coli_Skp . . . . . 100.00 162 100.00 100.00 1.36e-112 . . . . 19730 1 11 no PDB 1SG2 . "Crystal Structure Of The Periplasmic Chaperone Skp" . . . . . 87.04 153 100.00 100.00 1.36e-93 . . . . 19730 1 12 no DBJ BAA77853 . "periplasmic chaperone [Escherichia coli str. K12 substr. W3110]" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19730 1 13 no DBJ BAB33603 . "histone-like protein HlpA [Escherichia coli O157:H7 str. Sakai]" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19730 1 14 no DBJ BAG75701 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19730 1 15 no DBJ BAI23539 . "periplasmic chaperone [Escherichia coli O26:H11 str. 11368]" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19730 1 16 no DBJ BAI29054 . "periplasmic chaperone [Escherichia coli O103:H2 str. 12009]" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19730 1 17 no EMBL CAA38567 . "HLPI [Escherichia coli]" . . . . . 55.56 90 100.00 100.00 2.64e-54 . . . . 19730 1 18 no EMBL CAP74747 . "chaperone protein skp [Escherichia coli LF82]" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19730 1 19 no EMBL CAQ30692 . "periplasmic chaperone, subunit of Skp periplasmic chaperone [Escherichia coli BL21(DE3)]" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19730 1 20 no EMBL CAQ97065 . "periplasmic chaperone [Escherichia coli IAI1]" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19730 1 21 no EMBL CAR01553 . "periplasmic chaperone [Escherichia coli S88]" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19730 1 22 no GB AAA24630 . "17K protein (gtg start codon) [Escherichia coli]" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19730 1 23 no GB AAB08607 . "histone-like protein [Escherichia coli]" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19730 1 24 no GB AAC73289 . "periplasmic chaperone [Escherichia coli str. K-12 substr. MG1655]" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19730 1 25 no GB AAG54480 . "histone-like protein, located in outer membrane or nucleoid [Escherichia coli O157:H7 str. EDL933]" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19730 1 26 no GB AAN41830 . "histone-like protein [Shigella flexneri 2a str. 301]" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19730 1 27 no REF NP_308207 . "periplasmic chaperone [Escherichia coli O157:H7 str. Sakai]" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19730 1 28 no REF NP_414720 . "periplasmic chaperone [Escherichia coli str. K-12 substr. MG1655]" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19730 1 29 no REF NP_706123 . "periplasmic chaperone [Shigella flexneri 2a str. 301]" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19730 1 30 no REF WP_000758954 . "chaperone protein Skp [Escherichia coli]" . . . . . 88.89 161 97.22 98.61 8.38e-94 . . . . 19730 1 31 no REF WP_000758955 . "chaperone protein Skp [Escherichia coli]" . . . . . 88.89 161 97.22 98.61 8.38e-94 . . . . 19730 1 32 no SP P0AEU7 . "RecName: Full=Chaperone protein Skp; AltName: Full=DNA-binding 17 kDa protein; AltName: Full=Histone-like protein HLP-1; AltNam" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19730 1 33 no SP P0AEU8 . "RecName: Full=Chaperone protein Skp; Flags: Precursor" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19730 1 34 no SP P0AEU9 . "RecName: Full=Chaperone protein Skp; Flags: Precursor" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19730 1 35 no SP P0AEV0 . "RecName: Full=Chaperone protein Skp; Flags: Precursor" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19730 1 36 no SP Q325W2 . "RecName: Full=Chaperone protein Skp; Flags: Precursor" . . . . . 88.89 161 97.92 98.61 4.35e-94 . . . . 19730 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Molecular chaperone' 19730 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 19730 1 2 . GLY . 19730 1 3 . SER . 19730 1 4 . SER . 19730 1 5 . HIS . 19730 1 6 . HIS . 19730 1 7 . HIS . 19730 1 8 . HIS . 19730 1 9 . HIS . 19730 1 10 . HIS . 19730 1 11 . SER . 19730 1 12 . SER . 19730 1 13 . GLY . 19730 1 14 . LEU . 19730 1 15 . VAL . 19730 1 16 . PRO . 19730 1 17 . ARG . 19730 1 18 . GLY . 19730 1 19 . SER . 19730 1 20 . HIS . 19730 1 21 . MET . 19730 1 22 . ALA . 19730 1 23 . ASP . 19730 1 24 . LYS . 19730 1 25 . ILE . 19730 1 26 . ALA . 19730 1 27 . ILE . 19730 1 28 . VAL . 19730 1 29 . ASN . 19730 1 30 . MET . 19730 1 31 . GLY . 19730 1 32 . SER . 19730 1 33 . LEU . 19730 1 34 . PHE . 19730 1 35 . GLN . 19730 1 36 . GLN . 19730 1 37 . VAL . 19730 1 38 . ALA . 19730 1 39 . GLN . 19730 1 40 . LYS . 19730 1 41 . THR . 19730 1 42 . GLY . 19730 1 43 . VAL . 19730 1 44 . SER . 19730 1 45 . ASN . 19730 1 46 . THR . 19730 1 47 . LEU . 19730 1 48 . GLU . 19730 1 49 . ASN . 19730 1 50 . GLU . 19730 1 51 . PHE . 19730 1 52 . LYS . 19730 1 53 . GLY . 19730 1 54 . ARG . 19730 1 55 . ALA . 19730 1 56 . SER . 19730 1 57 . GLU . 19730 1 58 . LEU . 19730 1 59 . GLN . 19730 1 60 . ARG . 19730 1 61 . MET . 19730 1 62 . GLU . 19730 1 63 . THR . 19730 1 64 . ASP . 19730 1 65 . LEU . 19730 1 66 . GLN . 19730 1 67 . ALA . 19730 1 68 . LYS . 19730 1 69 . MET . 19730 1 70 . LYS . 19730 1 71 . LYS . 19730 1 72 . LEU . 19730 1 73 . GLN . 19730 1 74 . SER . 19730 1 75 . MET . 19730 1 76 . LYS . 19730 1 77 . ALA . 19730 1 78 . GLY . 19730 1 79 . SER . 19730 1 80 . ASP . 19730 1 81 . ARG . 19730 1 82 . THR . 19730 1 83 . LYS . 19730 1 84 . LEU . 19730 1 85 . GLU . 19730 1 86 . LYS . 19730 1 87 . ASP . 19730 1 88 . VAL . 19730 1 89 . MET . 19730 1 90 . ALA . 19730 1 91 . GLN . 19730 1 92 . ARG . 19730 1 93 . GLN . 19730 1 94 . THR . 19730 1 95 . PHE . 19730 1 96 . ALA . 19730 1 97 . GLN . 19730 1 98 . LYS . 19730 1 99 . ALA . 19730 1 100 . GLN . 19730 1 101 . ALA . 19730 1 102 . PHE . 19730 1 103 . GLU . 19730 1 104 . GLN . 19730 1 105 . ASP . 19730 1 106 . ARG . 19730 1 107 . ALA . 19730 1 108 . ARG . 19730 1 109 . ARG . 19730 1 110 . SER . 19730 1 111 . ASN . 19730 1 112 . GLU . 19730 1 113 . GLU . 19730 1 114 . ARG . 19730 1 115 . GLY . 19730 1 116 . LYS . 19730 1 117 . LEU . 19730 1 118 . VAL . 19730 1 119 . THR . 19730 1 120 . ARG . 19730 1 121 . ILE . 19730 1 122 . GLN . 19730 1 123 . THR . 19730 1 124 . ALA . 19730 1 125 . VAL . 19730 1 126 . LYS . 19730 1 127 . SER . 19730 1 128 . VAL . 19730 1 129 . ALA . 19730 1 130 . ASN . 19730 1 131 . SER . 19730 1 132 . GLN . 19730 1 133 . ASP . 19730 1 134 . ILE . 19730 1 135 . ASP . 19730 1 136 . LEU . 19730 1 137 . VAL . 19730 1 138 . VAL . 19730 1 139 . ASP . 19730 1 140 . ALA . 19730 1 141 . ASN . 19730 1 142 . ALA . 19730 1 143 . VAL . 19730 1 144 . ALA . 19730 1 145 . TYR . 19730 1 146 . ASN . 19730 1 147 . SER . 19730 1 148 . SER . 19730 1 149 . ASP . 19730 1 150 . VAL . 19730 1 151 . LYS . 19730 1 152 . ASP . 19730 1 153 . ILE . 19730 1 154 . THR . 19730 1 155 . ALA . 19730 1 156 . ASP . 19730 1 157 . VAL . 19730 1 158 . LEU . 19730 1 159 . LYS . 19730 1 160 . GLN . 19730 1 161 . VAL . 19730 1 162 . LYS . 19730 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19730 1 . GLY 2 2 19730 1 . SER 3 3 19730 1 . SER 4 4 19730 1 . HIS 5 5 19730 1 . HIS 6 6 19730 1 . HIS 7 7 19730 1 . HIS 8 8 19730 1 . HIS 9 9 19730 1 . HIS 10 10 19730 1 . SER 11 11 19730 1 . SER 12 12 19730 1 . GLY 13 13 19730 1 . LEU 14 14 19730 1 . VAL 15 15 19730 1 . PRO 16 16 19730 1 . ARG 17 17 19730 1 . GLY 18 18 19730 1 . SER 19 19 19730 1 . HIS 20 20 19730 1 . MET 21 21 19730 1 . ALA 22 22 19730 1 . ASP 23 23 19730 1 . LYS 24 24 19730 1 . ILE 25 25 19730 1 . ALA 26 26 19730 1 . ILE 27 27 19730 1 . VAL 28 28 19730 1 . ASN 29 29 19730 1 . MET 30 30 19730 1 . GLY 31 31 19730 1 . SER 32 32 19730 1 . LEU 33 33 19730 1 . PHE 34 34 19730 1 . GLN 35 35 19730 1 . GLN 36 36 19730 1 . VAL 37 37 19730 1 . ALA 38 38 19730 1 . GLN 39 39 19730 1 . LYS 40 40 19730 1 . THR 41 41 19730 1 . GLY 42 42 19730 1 . VAL 43 43 19730 1 . SER 44 44 19730 1 . ASN 45 45 19730 1 . THR 46 46 19730 1 . LEU 47 47 19730 1 . GLU 48 48 19730 1 . ASN 49 49 19730 1 . GLU 50 50 19730 1 . PHE 51 51 19730 1 . LYS 52 52 19730 1 . GLY 53 53 19730 1 . ARG 54 54 19730 1 . ALA 55 55 19730 1 . SER 56 56 19730 1 . GLU 57 57 19730 1 . LEU 58 58 19730 1 . GLN 59 59 19730 1 . ARG 60 60 19730 1 . MET 61 61 19730 1 . GLU 62 62 19730 1 . THR 63 63 19730 1 . ASP 64 64 19730 1 . LEU 65 65 19730 1 . GLN 66 66 19730 1 . ALA 67 67 19730 1 . LYS 68 68 19730 1 . MET 69 69 19730 1 . LYS 70 70 19730 1 . LYS 71 71 19730 1 . LEU 72 72 19730 1 . GLN 73 73 19730 1 . SER 74 74 19730 1 . MET 75 75 19730 1 . LYS 76 76 19730 1 . ALA 77 77 19730 1 . GLY 78 78 19730 1 . SER 79 79 19730 1 . ASP 80 80 19730 1 . ARG 81 81 19730 1 . THR 82 82 19730 1 . LYS 83 83 19730 1 . LEU 84 84 19730 1 . GLU 85 85 19730 1 . LYS 86 86 19730 1 . ASP 87 87 19730 1 . VAL 88 88 19730 1 . MET 89 89 19730 1 . ALA 90 90 19730 1 . GLN 91 91 19730 1 . ARG 92 92 19730 1 . GLN 93 93 19730 1 . THR 94 94 19730 1 . PHE 95 95 19730 1 . ALA 96 96 19730 1 . GLN 97 97 19730 1 . LYS 98 98 19730 1 . ALA 99 99 19730 1 . GLN 100 100 19730 1 . ALA 101 101 19730 1 . PHE 102 102 19730 1 . GLU 103 103 19730 1 . GLN 104 104 19730 1 . ASP 105 105 19730 1 . ARG 106 106 19730 1 . ALA 107 107 19730 1 . ARG 108 108 19730 1 . ARG 109 109 19730 1 . SER 110 110 19730 1 . ASN 111 111 19730 1 . GLU 112 112 19730 1 . GLU 113 113 19730 1 . ARG 114 114 19730 1 . GLY 115 115 19730 1 . LYS 116 116 19730 1 . LEU 117 117 19730 1 . VAL 118 118 19730 1 . THR 119 119 19730 1 . ARG 120 120 19730 1 . ILE 121 121 19730 1 . GLN 122 122 19730 1 . THR 123 123 19730 1 . ALA 124 124 19730 1 . VAL 125 125 19730 1 . LYS 126 126 19730 1 . SER 127 127 19730 1 . VAL 128 128 19730 1 . ALA 129 129 19730 1 . ASN 130 130 19730 1 . SER 131 131 19730 1 . GLN 132 132 19730 1 . ASP 133 133 19730 1 . ILE 134 134 19730 1 . ASP 135 135 19730 1 . LEU 136 136 19730 1 . VAL 137 137 19730 1 . VAL 138 138 19730 1 . ASP 139 139 19730 1 . ALA 140 140 19730 1 . ASN 141 141 19730 1 . ALA 142 142 19730 1 . VAL 143 143 19730 1 . ALA 144 144 19730 1 . TYR 145 145 19730 1 . ASN 146 146 19730 1 . SER 147 147 19730 1 . SER 148 148 19730 1 . ASP 149 149 19730 1 . VAL 150 150 19730 1 . LYS 151 151 19730 1 . ASP 152 152 19730 1 . ILE 153 153 19730 1 . THR 154 154 19730 1 . ALA 155 155 19730 1 . ASP 156 156 19730 1 . VAL 157 157 19730 1 . LEU 158 158 19730 1 . LYS 159 159 19730 1 . GLN 160 160 19730 1 . VAL 161 161 19730 1 . LYS 162 162 19730 1 stop_ save_ save_Escherichia_Coli_tOmpA _Entity.Sf_category entity _Entity.Sf_framecode Escherichia_Coli_tOmpA _Entity.Entry_ID 19730 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Escherichia_Coli_tOmpA _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 ; MAPKDNTWYTGAKLGWSQYH DTGFINNNGPTHENQLGAGA FGGYQVNPYVGFEMGYDWLG RMPYKGSVENGAYKAQGVQL TAKLGYPITDDLDIYTRLGG MVWRADTKSNVYGKNHDTGV SPVFAGGVEYAITPEIATRL EYQWTNNIGDAHTIGTRPDN GMLSLGVSYRFGQGEAA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'native processed E. Coli OmpA (residues 22-197) + initiator methionine' _Entity.Polymer_author_seq_details 'native processed E. Coli OmpA (residues 22-197) + initiator methionine' _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 177 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Escherichia Coli tOmpA' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P0A910 . OMPA_ECOLI . . . . . . . . . . . . . . 19730 2 2 yes PDB 1BXW . "Outer Membrane Protein A (Ompa) Transmembrane Domain" . . . . . . . . . . . . . . 19730 2 3 no BMRB 19409 . Escherichia_Coli_tOmpA . . . . . 100.00 177 100.00 100.00 9.67e-126 . . . . 19730 2 4 no BMRB 19410 . Escherichia_Coli_tOmpA . . . . . 100.00 177 100.00 100.00 9.67e-126 . . . . 19730 2 5 no BMRB 19940 . OmpA . . . . . 99.44 176 97.73 100.00 2.76e-122 . . . . 19730 2 6 no PDB 1BXW . "Outer Membrane Protein A (Ompa) Transmembrane Domain" . . . . . 97.18 172 98.26 98.84 1.21e-119 . . . . 19730 2 7 no PDB 1G90 . "Nmr Solution Structure Of Outer Membrane Protein A Transmembrane Domain: 10 Conformers" . . . . . 98.87 176 97.71 100.00 2.65e-121 . . . . 19730 2 8 no PDB 1QJP . "High Resolution Structure Of The Outer Membrane Protein A (ompa) Transmembrane Domain" . . . . . 96.61 171 98.83 99.42 2.48e-119 . . . . 19730 2 9 no PDB 2GE4 . "High-Resolution Solution Structure Of Outer Membrane Protein A Transmembrane Domain" . . . . . 100.00 177 97.74 100.00 4.17e-123 . . . . 19730 2 10 no PDB 3NB3 . "The Host Outer Membrane Proteins Ompa And Ompc Are Packed At Specific Sites In The Shigella Phage Sf6 Virion As Structural Comp" . . . . . 99.44 346 98.86 99.43 9.74e-124 . . . . 19730 2 11 no DBJ BAA35715 . "outer membrane protein A (3a;II*;G;d) [Escherichia coli str. K-12 substr. W3110]" . . . . . 99.44 346 100.00 100.00 9.59e-126 . . . . 19730 2 12 no DBJ BAB34464 . "outer membrane protein 3a [Escherichia coli O157:H7 str. Sakai]" . . . . . 99.44 346 100.00 100.00 9.59e-126 . . . . 19730 2 13 no DBJ BAG76542 . "outer membrane protein OmpA [Escherichia coli SE11]" . . . . . 99.44 346 100.00 100.00 9.59e-126 . . . . 19730 2 14 no DBJ BAI24400 . "outer membrane protein A [Escherichia coli O26:H11 str. 11368]" . . . . . 99.44 346 100.00 100.00 9.59e-126 . . . . 19730 2 15 no DBJ BAI29850 . "outer membrane protein A [Escherichia coli O103:H2 str. 12009]" . . . . . 99.44 346 100.00 100.00 9.59e-126 . . . . 19730 2 16 no EMBL CAA23588 . "ompA protein [Escherichia coli]" . . . . . 99.44 346 100.00 100.00 9.59e-126 . . . . 19730 2 17 no EMBL CAP75420 . "Outer membrane protein A [Escherichia coli LF82]" . . . . . 99.44 346 98.30 98.86 2.13e-123 . . . . 19730 2 18 no EMBL CAQ31485 . "outer membrane protein 3a (II*;G;d) [Escherichia coli BL21(DE3)]" . . . . . 99.44 346 100.00 100.00 9.59e-126 . . . . 19730 2 19 no EMBL CAR02310 . "outer membrane protein A (3a;II*;G;d) [Escherichia coli S88]" . . . . . 99.44 346 99.43 100.00 1.40e-125 . . . . 19730 2 20 no EMBL CAR07182 . "outer membrane protein A (3a;II*;G;d) [Escherichia coli ED1a]" . . . . . 99.44 346 98.30 99.43 2.61e-124 . . . . 19730 2 21 no GB AAC74043 . "outer membrane protein A (3a;II*;G;d) [Escherichia coli str. K-12 substr. MG1655]" . . . . . 99.44 346 100.00 100.00 9.59e-126 . . . . 19730 2 22 no GB AAF37887 . "outer membrane protein A [Escherichia coli RS218]" . . . . . 99.44 346 99.43 100.00 1.40e-125 . . . . 19730 2 23 no GB AAG55443 . "outer membrane protein 3a (II*;G;d) [Escherichia coli O157:H7 str. EDL933]" . . . . . 99.44 346 100.00 100.00 9.59e-126 . . . . 19730 2 24 no GB AAP74759 . "outer membrane protein A precursor [Shigella sonnei]" . . . . . 99.44 346 100.00 100.00 9.59e-126 . . . . 19730 2 25 no GB AAT02227 . "outer membrane protein A precursor [Shigella boydii]" . . . . . 99.44 346 100.00 100.00 1.06e-125 . . . . 19730 2 26 no REF NP_286832 . "outer membrane protein OmpA [Escherichia coli O157:H7 str. EDL933]" . . . . . 99.44 346 100.00 100.00 9.59e-126 . . . . 19730 2 27 no REF NP_309068 . "outer membrane protein A [Escherichia coli O157:H7 str. Sakai]" . . . . . 99.44 346 100.00 100.00 9.59e-126 . . . . 19730 2 28 no REF NP_415477 . "outer membrane protein A (3a;II*;G;d) [Escherichia coli str. K-12 substr. MG1655]" . . . . . 99.44 346 100.00 100.00 9.59e-126 . . . . 19730 2 29 no REF WP_000091488 . "membrane protein [Escherichia coli]" . . . . . 99.44 375 99.43 100.00 4.41e-125 . . . . 19730 2 30 no REF WP_000315442 . "membrane protein, partial [Escherichia coli]" . . . . . 99.44 343 100.00 100.00 1.50e-125 . . . . 19730 2 31 no SP P0A910 . "RecName: Full=Outer membrane protein A; AltName: Full=Outer membrane protein II*; Flags: Precursor [Escherichia coli K-12]" . . . . . 99.44 346 100.00 100.00 9.59e-126 . . . . 19730 2 32 no SP P0A911 . "RecName: Full=Outer membrane protein A; AltName: Full=Outer membrane protein II*; Flags: Precursor [Escherichia coli O157:H7]" . . . . . 99.44 346 100.00 100.00 9.59e-126 . . . . 19730 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 . 19730 2 2 . ALA . 19730 2 3 . PRO . 19730 2 4 . LYS . 19730 2 5 . ASP . 19730 2 6 . ASN . 19730 2 7 . THR . 19730 2 8 . TRP . 19730 2 9 . TYR . 19730 2 10 . THR . 19730 2 11 . GLY . 19730 2 12 . ALA . 19730 2 13 . LYS . 19730 2 14 . LEU . 19730 2 15 . GLY . 19730 2 16 . TRP . 19730 2 17 . SER . 19730 2 18 . GLN . 19730 2 19 . TYR . 19730 2 20 . HIS . 19730 2 21 . ASP . 19730 2 22 . THR . 19730 2 23 . GLY . 19730 2 24 . PHE . 19730 2 25 . ILE . 19730 2 26 . ASN . 19730 2 27 . ASN . 19730 2 28 . ASN . 19730 2 29 . GLY . 19730 2 30 . PRO . 19730 2 31 . THR . 19730 2 32 . HIS . 19730 2 33 . GLU . 19730 2 34 . ASN . 19730 2 35 . GLN . 19730 2 36 . LEU . 19730 2 37 . GLY . 19730 2 38 . ALA . 19730 2 39 . GLY . 19730 2 40 . ALA . 19730 2 41 . PHE . 19730 2 42 . GLY . 19730 2 43 . GLY . 19730 2 44 . TYR . 19730 2 45 . GLN . 19730 2 46 . VAL . 19730 2 47 . ASN . 19730 2 48 . PRO . 19730 2 49 . TYR . 19730 2 50 . VAL . 19730 2 51 . GLY . 19730 2 52 . PHE . 19730 2 53 . GLU . 19730 2 54 . MET . 19730 2 55 . GLY . 19730 2 56 . TYR . 19730 2 57 . ASP . 19730 2 58 . TRP . 19730 2 59 . LEU . 19730 2 60 . GLY . 19730 2 61 . ARG . 19730 2 62 . MET . 19730 2 63 . PRO . 19730 2 64 . TYR . 19730 2 65 . LYS . 19730 2 66 . GLY . 19730 2 67 . SER . 19730 2 68 . VAL . 19730 2 69 . GLU . 19730 2 70 . ASN . 19730 2 71 . GLY . 19730 2 72 . ALA . 19730 2 73 . TYR . 19730 2 74 . LYS . 19730 2 75 . ALA . 19730 2 76 . GLN . 19730 2 77 . GLY . 19730 2 78 . VAL . 19730 2 79 . GLN . 19730 2 80 . LEU . 19730 2 81 . THR . 19730 2 82 . ALA . 19730 2 83 . LYS . 19730 2 84 . LEU . 19730 2 85 . GLY . 19730 2 86 . TYR . 19730 2 87 . PRO . 19730 2 88 . ILE . 19730 2 89 . THR . 19730 2 90 . ASP . 19730 2 91 . ASP . 19730 2 92 . LEU . 19730 2 93 . ASP . 19730 2 94 . ILE . 19730 2 95 . TYR . 19730 2 96 . THR . 19730 2 97 . ARG . 19730 2 98 . LEU . 19730 2 99 . GLY . 19730 2 100 . GLY . 19730 2 101 . MET . 19730 2 102 . VAL . 19730 2 103 . TRP . 19730 2 104 . ARG . 19730 2 105 . ALA . 19730 2 106 . ASP . 19730 2 107 . THR . 19730 2 108 . LYS . 19730 2 109 . SER . 19730 2 110 . ASN . 19730 2 111 . VAL . 19730 2 112 . TYR . 19730 2 113 . GLY . 19730 2 114 . LYS . 19730 2 115 . ASN . 19730 2 116 . HIS . 19730 2 117 . ASP . 19730 2 118 . THR . 19730 2 119 . GLY . 19730 2 120 . VAL . 19730 2 121 . SER . 19730 2 122 . PRO . 19730 2 123 . VAL . 19730 2 124 . PHE . 19730 2 125 . ALA . 19730 2 126 . GLY . 19730 2 127 . GLY . 19730 2 128 . VAL . 19730 2 129 . GLU . 19730 2 130 . TYR . 19730 2 131 . ALA . 19730 2 132 . ILE . 19730 2 133 . THR . 19730 2 134 . PRO . 19730 2 135 . GLU . 19730 2 136 . ILE . 19730 2 137 . ALA . 19730 2 138 . THR . 19730 2 139 . ARG . 19730 2 140 . LEU . 19730 2 141 . GLU . 19730 2 142 . TYR . 19730 2 143 . GLN . 19730 2 144 . TRP . 19730 2 145 . THR . 19730 2 146 . ASN . 19730 2 147 . ASN . 19730 2 148 . ILE . 19730 2 149 . GLY . 19730 2 150 . ASP . 19730 2 151 . ALA . 19730 2 152 . HIS . 19730 2 153 . THR . 19730 2 154 . ILE . 19730 2 155 . GLY . 19730 2 156 . THR . 19730 2 157 . ARG . 19730 2 158 . PRO . 19730 2 159 . ASP . 19730 2 160 . ASN . 19730 2 161 . GLY . 19730 2 162 . MET . 19730 2 163 . LEU . 19730 2 164 . SER . 19730 2 165 . LEU . 19730 2 166 . GLY . 19730 2 167 . VAL . 19730 2 168 . SER . 19730 2 169 . TYR . 19730 2 170 . ARG . 19730 2 171 . PHE . 19730 2 172 . GLY . 19730 2 173 . GLN . 19730 2 174 . GLY . 19730 2 175 . GLU . 19730 2 176 . ALA . 19730 2 177 . ALA . 19730 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 19730 2 . ALA 2 2 19730 2 . PRO 3 3 19730 2 . LYS 4 4 19730 2 . ASP 5 5 19730 2 . ASN 6 6 19730 2 . THR 7 7 19730 2 . TRP 8 8 19730 2 . TYR 9 9 19730 2 . THR 10 10 19730 2 . GLY 11 11 19730 2 . ALA 12 12 19730 2 . LYS 13 13 19730 2 . LEU 14 14 19730 2 . GLY 15 15 19730 2 . TRP 16 16 19730 2 . SER 17 17 19730 2 . GLN 18 18 19730 2 . TYR 19 19 19730 2 . HIS 20 20 19730 2 . ASP 21 21 19730 2 . THR 22 22 19730 2 . GLY 23 23 19730 2 . PHE 24 24 19730 2 . ILE 25 25 19730 2 . ASN 26 26 19730 2 . ASN 27 27 19730 2 . ASN 28 28 19730 2 . GLY 29 29 19730 2 . PRO 30 30 19730 2 . THR 31 31 19730 2 . HIS 32 32 19730 2 . GLU 33 33 19730 2 . ASN 34 34 19730 2 . GLN 35 35 19730 2 . LEU 36 36 19730 2 . GLY 37 37 19730 2 . ALA 38 38 19730 2 . GLY 39 39 19730 2 . ALA 40 40 19730 2 . PHE 41 41 19730 2 . GLY 42 42 19730 2 . GLY 43 43 19730 2 . TYR 44 44 19730 2 . GLN 45 45 19730 2 . VAL 46 46 19730 2 . ASN 47 47 19730 2 . PRO 48 48 19730 2 . TYR 49 49 19730 2 . VAL 50 50 19730 2 . GLY 51 51 19730 2 . PHE 52 52 19730 2 . GLU 53 53 19730 2 . MET 54 54 19730 2 . GLY 55 55 19730 2 . TYR 56 56 19730 2 . ASP 57 57 19730 2 . TRP 58 58 19730 2 . LEU 59 59 19730 2 . GLY 60 60 19730 2 . ARG 61 61 19730 2 . MET 62 62 19730 2 . PRO 63 63 19730 2 . TYR 64 64 19730 2 . LYS 65 65 19730 2 . GLY 66 66 19730 2 . SER 67 67 19730 2 . VAL 68 68 19730 2 . GLU 69 69 19730 2 . ASN 70 70 19730 2 . GLY 71 71 19730 2 . ALA 72 72 19730 2 . TYR 73 73 19730 2 . LYS 74 74 19730 2 . ALA 75 75 19730 2 . GLN 76 76 19730 2 . GLY 77 77 19730 2 . VAL 78 78 19730 2 . GLN 79 79 19730 2 . LEU 80 80 19730 2 . THR 81 81 19730 2 . ALA 82 82 19730 2 . LYS 83 83 19730 2 . LEU 84 84 19730 2 . GLY 85 85 19730 2 . TYR 86 86 19730 2 . PRO 87 87 19730 2 . ILE 88 88 19730 2 . THR 89 89 19730 2 . ASP 90 90 19730 2 . ASP 91 91 19730 2 . LEU 92 92 19730 2 . ASP 93 93 19730 2 . ILE 94 94 19730 2 . TYR 95 95 19730 2 . THR 96 96 19730 2 . ARG 97 97 19730 2 . LEU 98 98 19730 2 . GLY 99 99 19730 2 . GLY 100 100 19730 2 . MET 101 101 19730 2 . VAL 102 102 19730 2 . TRP 103 103 19730 2 . ARG 104 104 19730 2 . ALA 105 105 19730 2 . ASP 106 106 19730 2 . THR 107 107 19730 2 . LYS 108 108 19730 2 . SER 109 109 19730 2 . ASN 110 110 19730 2 . VAL 111 111 19730 2 . TYR 112 112 19730 2 . GLY 113 113 19730 2 . LYS 114 114 19730 2 . ASN 115 115 19730 2 . HIS 116 116 19730 2 . ASP 117 117 19730 2 . THR 118 118 19730 2 . GLY 119 119 19730 2 . VAL 120 120 19730 2 . SER 121 121 19730 2 . PRO 122 122 19730 2 . VAL 123 123 19730 2 . PHE 124 124 19730 2 . ALA 125 125 19730 2 . GLY 126 126 19730 2 . GLY 127 127 19730 2 . VAL 128 128 19730 2 . GLU 129 129 19730 2 . TYR 130 130 19730 2 . ALA 131 131 19730 2 . ILE 132 132 19730 2 . THR 133 133 19730 2 . PRO 134 134 19730 2 . GLU 135 135 19730 2 . ILE 136 136 19730 2 . ALA 137 137 19730 2 . THR 138 138 19730 2 . ARG 139 139 19730 2 . LEU 140 140 19730 2 . GLU 141 141 19730 2 . TYR 142 142 19730 2 . GLN 143 143 19730 2 . TRP 144 144 19730 2 . THR 145 145 19730 2 . ASN 146 146 19730 2 . ASN 147 147 19730 2 . ILE 148 148 19730 2 . GLY 149 149 19730 2 . ASP 150 150 19730 2 . ALA 151 151 19730 2 . HIS 152 152 19730 2 . THR 153 153 19730 2 . ILE 154 154 19730 2 . GLY 155 155 19730 2 . THR 156 156 19730 2 . ARG 157 157 19730 2 . PRO 158 158 19730 2 . ASP 159 159 19730 2 . ASN 160 160 19730 2 . GLY 161 161 19730 2 . MET 162 162 19730 2 . LEU 163 163 19730 2 . SER 164 164 19730 2 . LEU 165 165 19730 2 . GLY 166 166 19730 2 . VAL 167 167 19730 2 . SER 168 168 19730 2 . TYR 169 169 19730 2 . ARG 170 170 19730 2 . PHE 171 171 19730 2 . GLY 172 172 19730 2 . GLN 173 173 19730 2 . GLY 174 174 19730 2 . GLU 175 175 19730 2 . ALA 176 176 19730 2 . ALA 177 177 19730 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19730 _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 $Escherichia_Coli_Skp . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 19730 1 2 2 $Escherichia_Coli_tOmpA . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 19730 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 19730 _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 $Escherichia_Coli_Skp . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pET28b . . . . . . 19730 1 2 2 $Escherichia_Coli_tOmpA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pET28b . . . . . . 19730 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19730 _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 'Escherichia_Coli_Skp (trimer)' '[U-13CE, U-1H]-Met; [U-13CB; U-1HB]-Ala; [U-2H; U-15N]' . . 1 $Escherichia_Coli_Skp . . 0.7 . . mM . . . . 19730 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19730 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19730 1 4 MES 'natural abundance' . . . . . . 25 . . mM . . . . 19730 1 5 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 19730 1 6 Escherichia_Coli_tOmpA '[U-13CD, U-1HD]-Ile; [U-13CG; U-1HG]-Leu; [U-13CG; U-1HG]_Val; [U-2H; U-15N]' . . 2 $Escherichia_Coli_tOmpA . . 0.4 . . mM . . . . 19730 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 19730 _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' 0.150 . M 19730 1 pH 6.5 . pH 19730 1 pressure 1 . atm 19730 1 temperature 310 . K 19730 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 19730 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19730 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19730 1 'data analysis' 19730 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19730 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19730 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19730 2 stop_ save_ save_PROSA _Software.Sf_category software _Software.Sf_framecode PROSA _Software.Entry_ID 19730 _Software.ID 3 _Software.Name PROSA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Guntert . . 19730 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19730 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 19730 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AscendII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 19730 _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 AscendII . 700 . . . 19730 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 19730 _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-13C HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19730 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19730 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 19730 _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 . . . . . . . . . 19730 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19730 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 19730 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _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-13C HMQC' . . . 19730 1 2 '3D 1H-13C NOESY' . . . 19730 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 . 1 1 26 26 ALA HB1 H 1 1.491 0.02 . 1 . . . . 26 ALA HB . 19730 1 2 . 1 1 26 26 ALA HB2 H 1 1.491 0.02 . 1 . . . . 26 ALA HB . 19730 1 3 . 1 1 26 26 ALA HB3 H 1 1.491 0.02 . 1 . . . . 26 ALA HB . 19730 1 4 . 1 1 26 26 ALA CB C 13 24.471 0.3 . 1 . . . . 26 ALA CB . 19730 1 5 . 1 1 55 55 ALA HB1 H 1 1.612 0.02 . 1 . . . . 55 ALA HB . 19730 1 6 . 1 1 55 55 ALA HB2 H 1 1.612 0.02 . 1 . . . . 55 ALA HB . 19730 1 7 . 1 1 55 55 ALA HB3 H 1 1.612 0.02 . 1 . . . . 55 ALA HB . 19730 1 8 . 1 1 55 55 ALA CB C 13 17.629 0.3 . 1 . . . . 55 ALA CB . 19730 1 9 . 1 1 67 67 ALA HB1 H 1 0.992 0.02 . 1 . . . . 67 ALA HB . 19730 1 10 . 1 1 67 67 ALA HB2 H 1 0.992 0.02 . 1 . . . . 67 ALA HB . 19730 1 11 . 1 1 67 67 ALA HB3 H 1 0.992 0.02 . 1 . . . . 67 ALA HB . 19730 1 12 . 1 1 67 67 ALA CB C 13 16.791 0.3 . 1 . . . . 67 ALA CB . 19730 1 13 . 1 1 77 77 ALA HB1 H 1 1.388 0.02 . 1 . . . . 77 ALA HB . 19730 1 14 . 1 1 77 77 ALA HB2 H 1 1.388 0.02 . 1 . . . . 77 ALA HB . 19730 1 15 . 1 1 77 77 ALA HB3 H 1 1.388 0.02 . 1 . . . . 77 ALA HB . 19730 1 16 . 1 1 77 77 ALA CB C 13 18.278 0.3 . 1 . . . . 77 ALA CB . 19730 1 17 . 1 1 96 96 ALA HB1 H 1 1.54 0.02 . 1 . . . . 96 ALA HB . 19730 1 18 . 1 1 96 96 ALA HB2 H 1 1.54 0.02 . 1 . . . . 96 ALA HB . 19730 1 19 . 1 1 96 96 ALA HB3 H 1 1.54 0.02 . 1 . . . . 96 ALA HB . 19730 1 20 . 1 1 96 96 ALA CB C 13 17.492 0.3 . 1 . . . . 96 ALA CB . 19730 1 21 . 1 1 99 99 ALA HB1 H 1 1.6 0.02 . 1 . . . . 99 ALA HB . 19730 1 22 . 1 1 99 99 ALA HB2 H 1 1.6 0.02 . 1 . . . . 99 ALA HB . 19730 1 23 . 1 1 99 99 ALA HB3 H 1 1.6 0.02 . 1 . . . . 99 ALA HB . 19730 1 24 . 1 1 99 99 ALA CB C 13 17.562 0.3 . 1 . . . . 99 ALA CB . 19730 1 25 . 1 1 101 101 ALA HB1 H 1 1.571 0.02 . 1 . . . . 101 ALA HB . 19730 1 26 . 1 1 101 101 ALA HB2 H 1 1.571 0.02 . 1 . . . . 101 ALA HB . 19730 1 27 . 1 1 101 101 ALA HB3 H 1 1.571 0.02 . 1 . . . . 101 ALA HB . 19730 1 28 . 1 1 101 101 ALA CB C 13 17.323 0.3 . 1 . . . . 101 ALA CB . 19730 1 29 . 1 1 107 107 ALA HB1 H 1 1.522 0.02 . 1 . . . . 107 ALA HB . 19730 1 30 . 1 1 107 107 ALA HB2 H 1 1.522 0.02 . 1 . . . . 107 ALA HB . 19730 1 31 . 1 1 107 107 ALA HB3 H 1 1.522 0.02 . 1 . . . . 107 ALA HB . 19730 1 32 . 1 1 107 107 ALA CB C 13 17.542 0.3 . 1 . . . . 107 ALA CB . 19730 1 33 . 1 1 124 124 ALA HB1 H 1 1.482 0.02 . 1 . . . . 124 ALA HB . 19730 1 34 . 1 1 124 124 ALA HB2 H 1 1.482 0.02 . 1 . . . . 124 ALA HB . 19730 1 35 . 1 1 124 124 ALA HB3 H 1 1.482 0.02 . 1 . . . . 124 ALA HB . 19730 1 36 . 1 1 124 124 ALA CB C 13 19.419 0.3 . 1 . . . . 124 ALA CB . 19730 1 37 . 1 1 129 129 ALA HB1 H 1 0.793 0.02 . 1 . . . . 129 ALA HB . 19730 1 38 . 1 1 129 129 ALA HB2 H 1 0.793 0.02 . 1 . . . . 129 ALA HB . 19730 1 39 . 1 1 129 129 ALA HB3 H 1 0.793 0.02 . 1 . . . . 129 ALA HB . 19730 1 40 . 1 1 129 129 ALA CB C 13 17.249 0.3 . 1 . . . . 129 ALA CB . 19730 1 41 . 1 1 140 140 ALA HB1 H 1 1.34 0.02 . 1 . . . . 140 ALA HB . 19730 1 42 . 1 1 140 140 ALA HB2 H 1 1.34 0.02 . 1 . . . . 140 ALA HB . 19730 1 43 . 1 1 140 140 ALA HB3 H 1 1.34 0.02 . 1 . . . . 140 ALA HB . 19730 1 44 . 1 1 140 140 ALA CB C 13 18.299 0.3 . 1 . . . . 140 ALA CB . 19730 1 45 . 1 1 144 144 ALA HB1 H 1 1.23 0.02 . 1 . . . . 144 ALA HB . 19730 1 46 . 1 1 144 144 ALA HB2 H 1 1.23 0.02 . 1 . . . . 144 ALA HB . 19730 1 47 . 1 1 144 144 ALA HB3 H 1 1.23 0.02 . 1 . . . . 144 ALA HB . 19730 1 48 . 1 1 144 144 ALA CB C 13 20.313 0.3 . 1 . . . . 144 ALA CB . 19730 1 49 . 1 1 155 155 ALA HB1 H 1 1.397 0.02 . 1 . . . . 155 ALA HB . 19730 1 50 . 1 1 155 155 ALA HB2 H 1 1.397 0.02 . 1 . . . . 155 ALA HB . 19730 1 51 . 1 1 155 155 ALA HB3 H 1 1.397 0.02 . 1 . . . . 155 ALA HB . 19730 1 52 . 1 1 155 155 ALA CB C 13 17.334 0.3 . 1 . . . . 155 ALA CB . 19730 1 stop_ save_