data_2113 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The solution structures of Escherichia coli trp repressor and trp aporepressor at an intermediate resolution ; _BMRB_accession_number 2113 _BMRB_flat_file_name bmr2113.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-03-25 _Entry_origination BMRB _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Arrowsmith Cheryl H. . 2 Pachter R. . . 3 Altman R. B. . 4 Jardetzky Oleg . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 128 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-16 revision BMRB 'Complete natural source information' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Arrowsmith, Cheryl H., Pachter, R., Altman, R.B., Jardetzky, Oleg, "The solution structures of Escherichia coli trp repressor and trp aporepressor at an intermediate resolution," Eur. J. Biochem. 202, 53-66 (1991). ; _Citation_title ; The solution structures of Escherichia coli trp repressor and trp aporepressor at an intermediate resolution ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Arrowsmith Cheryl H. . 2 Pachter R. . . 3 Altman R. B. . 4 Jardetzky Oleg . . stop_ _Journal_abbreviation 'Eur. J. Biochem.' _Journal_volume 202 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 53 _Page_last 66 _Year 1991 _Details . save_ ################################## # Molecular system description # ################################## save_system_trp_repressor _Saveframe_category molecular_system _Mol_system_name 'trp repressor' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'trp repressor' $trp_repressor stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_trp_repressor _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'trp repressor' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 105 _Mol_residue_sequence ; XXXXXXXXXXXAEQXHXXXL XFXXLLXXXXXNXLXLXLLX LMLTXDEREALGTXVRIVEE LLXGEMSNRELXNXLGAGIA TXTRGSNSLKAXPXXLXXXL EXVLL ; loop_ _Residue_seq_code _Residue_label 1 X 2 X 3 X 4 X 5 X 6 X 7 X 8 X 9 X 10 X 11 X 12 ALA 13 GLU 14 GLN 15 X 16 HIS 17 X 18 X 19 X 20 LEU 21 X 22 PHE 23 X 24 X 25 LEU 26 LEU 27 X 28 X 29 X 30 X 31 X 32 ASN 33 X 34 LEU 35 X 36 LEU 37 X 38 LEU 39 LEU 40 X 41 LEU 42 MET 43 LEU 44 THR 45 X 46 ASP 47 GLU 48 ARG 49 GLU 50 ALA 51 LEU 52 GLY 53 THR 54 X 55 VAL 56 ARG 57 ILE 58 VAL 59 GLU 60 GLU 61 LEU 62 LEU 63 X 64 GLY 65 GLU 66 MET 67 SER 68 ASN 69 ARG 70 GLU 71 LEU 72 X 73 ASN 74 X 75 LEU 76 GLY 77 ALA 78 GLY 79 ILE 80 ALA 81 THR 82 X 83 THR 84 ARG 85 GLY 86 SER 87 ASN 88 SER 89 LEU 90 LYS 91 ALA 92 X 93 PRO 94 X 95 X 96 LEU 97 X 98 X 99 X 100 LEU 101 GLU 102 X 103 VAL 104 LEU 105 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 2114 "trp repressor" 89.52 105 100.00 100.00 1.37e-27 BMRB 2115 "trp repressor" 89.52 105 100.00 100.00 1.37e-27 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $trp_repressor 'E. coli' 562 Eubacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $trp_repressor 'not available' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.7 . na temperature 318 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Saveframe_category chemical_shift_reference _Details 'The chemical shift reference is not available at this time.' 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_chemical_shift_assignment_data_set_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name 'trp repressor' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 16 HIS H H 8.29 0.03 1 2 . 22 PHE H H 7.84 0.03 1 3 . 22 PHE HB2 H 3.49 0.03 2 4 . 22 PHE HB3 H 3.16 0.03 2 5 . 22 PHE HD1 H 7 0.03 1 6 . 22 PHE HD2 H 7 0.03 1 7 . 22 PHE HE1 H 7.14 0.03 1 8 . 22 PHE HE2 H 7.14 0.03 1 9 . 22 PHE HZ H 7.14 0.03 1 10 . 25 LEU HA H 4.05 0.03 1 11 . 25 LEU HB2 H 1.87 0.03 1 12 . 25 LEU HB3 H 1.87 0.03 1 13 . 25 LEU HG H 1.67 0.03 1 14 . 25 LEU HD1 H .88 0.03 2 15 . 25 LEU HD2 H .73 0.03 2 16 . 26 LEU HB2 H 1.72 0.03 1 17 . 26 LEU HB3 H 1.72 0.03 1 18 . 26 LEU HG H 1.2 0.03 1 19 . 32 ASN HB2 H 1.9 0.03 1 20 . 32 ASN HB3 H 1.9 0.03 1 21 . 32 ASN HD21 H 7.17 0.03 1 22 . 32 ASN HD22 H 7.17 0.03 1 23 . 34 LEU HB2 H 1.37 0.03 1 24 . 34 LEU HB3 H 1.37 0.03 1 25 . 34 LEU HG H 1.18 0.03 1 26 . 38 LEU HD1 H 1.19 0.03 2 27 . 38 LEU HD2 H .95 0.03 2 28 . 39 LEU HD1 H 1.28 0.03 2 29 . 39 LEU HD2 H 1.16 0.03 2 30 . 41 LEU H H 7.51 0.03 1 31 . 41 LEU HA H 4.33 0.03 1 32 . 41 LEU HB2 H 2.26 0.03 1 33 . 41 LEU HB3 H 2.26 0.03 1 34 . 41 LEU HG H 1.6 0.03 1 35 . 41 LEU HD1 H .93 0.03 2 36 . 41 LEU HD2 H .88 0.03 2 37 . 42 MET H H 8.09 0.03 1 38 . 42 MET HA H 4.27 0.03 1 39 . 43 LEU H H 7.82 0.03 1 40 . 43 LEU HB2 H 1.78 0.03 1 41 . 43 LEU HB3 H 1.78 0.03 1 42 . 43 LEU HG H 1.45 0.03 1 43 . 43 LEU HD1 H 1.06 0.03 2 44 . 43 LEU HD2 H .96 0.03 2 45 . 44 THR H H 9.1 0.03 1 46 . 44 THR HB H 4.65 0.03 1 47 . 44 THR HG2 H 1.23 0.03 1 48 . 46 ASP H H 8.04 0.03 1 49 . 47 GLU H H 7.81 0.03 1 50 . 47 GLU HA H 3.93 0.03 1 51 . 47 GLU HB2 H 1.73 0.03 1 52 . 47 GLU HB3 H 1.73 0.03 1 53 . 47 GLU HG2 H 2.37 0.03 2 54 . 47 GLU HG3 H 2.3 0.03 2 55 . 49 GLU H H 7.77 0.03 1 56 . 50 ALA H H 7.93 0.03 1 57 . 50 ALA HA H 4.15 0.03 1 58 . 50 ALA HB H 1.52 0.03 1 59 . 51 LEU HB2 H 1.99 0.03 1 60 . 51 LEU HB3 H 1.99 0.03 1 61 . 51 LEU HG H 1.08 0.03 1 62 . 51 LEU HD1 H .78 0.03 2 63 . 51 LEU HD2 H .62 0.03 2 64 . 52 GLY H H 8.2 0.03 1 65 . 52 GLY HA2 H 3.85 0.03 2 66 . 52 GLY HA3 H 4.18 0.03 2 67 . 53 THR H H 8.26 0.03 1 68 . 53 THR HB H 4.42 0.03 1 69 . 55 VAL H H 7.85 0.03 1 70 . 56 ARG H H 7.22 0.03 1 71 . 57 ILE H H 8.16 0.03 1 72 . 57 ILE HB H 2.04 0.03 1 73 . 57 ILE HG12 H 1.82 0.03 2 74 . 57 ILE HG13 H 1.28 0.03 2 75 . 57 ILE HG2 H .9 0.03 1 76 . 57 ILE HD1 H .77 0.03 1 77 . 58 VAL H H 8.05 0.03 1 78 . 58 VAL HA H 3.51 0.03 1 79 . 58 VAL HB H 2.25 0.03 1 80 . 58 VAL HG1 H 1.1 0.03 2 81 . 58 VAL HG2 H .9 0.03 2 82 . 59 GLU H H 8.45 0.03 1 83 . 59 GLU HG2 H 2.3 0.03 1 84 . 59 GLU HG3 H 2.3 0.03 1 85 . 60 GLU HA H 3.67 0.03 1 86 . 60 GLU HB2 H 2.12 0.03 2 87 . 60 GLU HB3 H 2.04 0.03 2 88 . 60 GLU HG2 H 2.54 0.03 1 89 . 60 GLU HG3 H 2.54 0.03 1 90 . 61 LEU H H 8.82 0.03 1 91 . 62 LEU HB2 H 2 0.03 1 92 . 62 LEU HB3 H 2 0.03 1 93 . 62 LEU HD1 H .88 0.03 2 94 . 62 LEU HD2 H .77 0.03 2 95 . 64 GLY H H 7.7 0.03 1 96 . 65 GLU HB2 H 2.14 0.03 1 97 . 65 GLU HB3 H 2.14 0.03 1 98 . 66 MET HA H 4.27 0.03 1 99 . 67 SER H H 8.7 0.03 1 100 . 68 ASN H H 7.78 0.03 1 101 . 69 ARG H H 8.21 0.03 1 102 . 70 GLU HA H 4.13 0.03 1 103 . 73 ASN H H 7.95 0.03 1 104 . 77 ALA H H 7.36 0.03 1 105 . 77 ALA HA H 4.47 0.03 1 106 . 78 GLY H H 7.36 0.03 1 107 . 78 GLY HA2 H 3.93 0.03 1 108 . 78 GLY HA3 H 3.93 0.03 1 109 . 79 ILE HA H 3.96 0.03 1 110 . 79 ILE HB H 1.93 0.03 1 111 . 79 ILE HG12 H 1.52 0.03 2 112 . 79 ILE HG13 H 1.39 0.03 2 113 . 79 ILE HG2 H .96 0.03 1 114 . 79 ILE HD1 H .88 0.03 1 115 . 80 ALA HA H 4.17 0.03 1 116 . 83 THR HA H 4.08 0.03 1 117 . 83 THR HB H 4.28 0.03 1 118 . 87 ASN H H 7.84 0.03 1 119 . 87 ASN HB2 H 2.92 0.03 1 120 . 87 ASN HB3 H 2.92 0.03 1 121 . 90 LYS H H 7.81 0.03 1 122 . 91 ALA H H 7.28 0.03 1 123 . 96 LEU HA H 4.48 0.03 1 124 . 96 LEU HD1 H 1.19 0.03 1 125 . 96 LEU HD2 H 1.19 0.03 1 126 . 101 GLU HG2 H 2.58 0.03 1 127 . 101 GLU HG3 H 2.58 0.03 1 128 . 103 VAL HB H 1.34 0.03 1 stop_ save_