data_17222 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; lac repressor-lac operator interaction: NMR observations ; _BMRB_accession_number 17222 _BMRB_flat_file_name bmr17222.str _Entry_type original _Submission_date 2010-09-29 _Accession_date 2010-09-29 _Entry_origination author _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 Nick Harry . . 2 Arndt Kim . . 3 Boschelli Frank . . 4 Jarema 'Mary Ann' C. . 5 Lillis Marcella . . 6 Sadler John . . 7 Caruthers Marvin . . 8 Lu Ponzy . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count chemical_rates 1 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-11-10 original author . stop_ _Original_release_date 2010-11-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'lac repressor-lac operator interaction: NMR observations' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 7043455 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nick Harry . . 2 Arndt Kim . . 3 Boschelli Frank . . 4 Jarema 'Mary Ann' C. . 5 Lillis Marcella . . 6 Sadler John . . 7 Caruthers Marvin . . 8 Lu Ponzy . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 79 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 218 _Page_last 222 _Year 1982 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'operator/repressor complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label operator $operator repressor $repressor stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_operator _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common operator _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 73 _Mol_residue_sequence ; CCACATGTGGAATTGTGAGC GGATAACAATTTGTGGGGTG TACACCTTAACACTCGCCTA TTGTTAAACACC ; loop_ _Residue_seq_code _Residue_label 1 DC 2 DC 3 DA 4 DC 5 DA 6 DT 7 DG 8 DT 9 DG 10 DG 11 DA 12 DA 13 DT 14 DT 15 DG 16 DT 17 DG 18 DA 19 DG 20 DC 21 DG 22 DG 23 DA 24 DT 25 DA 26 DA 27 DC 28 DA 29 DA 30 DT 31 DT 32 DT 33 DG 34 DT 35 DG 36 DG 37 DG 38 DG 39 DT 40 DG 41 DT 42 DA 43 DC 44 DA 45 DC 46 DC 47 DT 48 DT 49 DA 50 DA 51 DC 52 DA 53 DC 54 DT 55 DC 56 DG 57 DC 58 DC 59 DT 60 DA 61 DT 62 DT 63 DG 64 DT 65 DT 66 DA 67 DA 68 DA 69 DC 70 DA 71 DC 72 DC stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_repressor _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common repressor _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 7 _Mol_residue_sequence MXXXHYL loop_ _Residue_seq_code _Residue_label 1 MET 2 YOF 3 YOF 4 YOF 5 HIS 6 TYR 7 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_YOF _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common 3-FLUOROTYROSINE _BMRB_code YOF _PDB_code YOF _Standard_residue_derivative . _Molecular_mass 199.179 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? CB CB C . 0 . ? CG CG C . 0 . ? CD1 CD1 C . 0 . ? CD2 CD2 C . 0 . ? CE1 CE1 C . 0 . ? CE2 CE2 C . 0 . ? CZ CZ C . 0 . ? OH OH O . 0 . ? F F F . 0 . ? H H H . 0 . ? H2 H2 H . 0 . ? HA HA H . 0 . ? HXT HXT H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HD1 HD1 H . 0 . ? HD2 HD2 H . 0 . ? HE2 HE2 H . 0 . ? HH HH H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N H ? ? SING N H2 ? ? SING CA C ? ? SING CA CB ? ? SING CA HA ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? SING CB CG ? ? SING CB HB2 ? ? SING CB HB3 ? ? DOUB CG CD1 ? ? SING CG CD2 ? ? SING CD1 CE1 ? ? SING CD1 HD1 ? ? DOUB CD2 CE2 ? ? SING CD2 HD2 ? ? DOUB CE1 CZ ? ? SING CE1 F ? ? SING CE2 CZ ? ? SING CE2 HE2 ? ? SING CZ OH ? ? SING OH HH ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $operator cattle 9913 Eukaryota Metazoa . . $repressor . . . . . . 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 $operator 'recombinant technology' . Escherichia coli . pOE101 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'repressor in tetrameric form' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $operator . mM 0 0.0000375 'natural abundance' $repressor 0.00003 mM . . 'natural abundance' Tris 0.25 M . . 'natural abundance' 'potassium chloride' 0.2 M . . 'natural abundance' EDTA 1 mM . . 'natural abundance' dithiothreitol 1 mM . . 'natural abundance' H2O 75 % . . 'natural abundance' D2O 25 % . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'repressor in tetrameric form' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $operator . mM 0 0.0000375 'natural abundance' $repressor 0.00003 mM . . 'natural abundance' Tris 0.25 M . . 'natural abundance' 'potassium chloride' 0.5 M . . 'natural abundance' EDTA 1 mM . . 'natural abundance' dithiothreitol 1 mM . . 'natural abundance' H2O 75 % . . 'natural abundance' D2O 25 % . . 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details 'repressor in tetrameric form' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $operator . mM 0 0.0000375 'natural abundance' $repressor 0.00003 mM . . 'natural abundance' Tris 0.25 M . . 'natural abundance' 'potassium chloride' 0.5 M . . 'natural abundance' EDTA 1 mM . . 'natural abundance' dithiothreitol 1 mM . . 'natural abundance' iPrSGal 0.0012 mM . . 'natural abundance' H2O 75 % . . 'natural abundance' D2O 25 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software _Saveframe_category software _Name software _Version . loop_ _Vendor _Address _Electronic_address na . . stop_ loop_ _Task na stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Nicolet _Model NT _Field_strength 141.2 _Details . save_ ############################# # NMR applied experiments # ############################# save_19F_NMR_1 _Saveframe_category NMR_applied_experiment _Experiment_name '19F NMR' _Sample_label $sample_1 save_ save_19F_NMR_2 _Saveframe_category NMR_applied_experiment _Experiment_name '19F NMR' _Sample_label $sample_2 save_ save_19F_NMR_3 _Saveframe_category NMR_applied_experiment _Experiment_name '19F NMR' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 . pH pressure 1 . atm temperature 295 . K stop_ save_