data_1153 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Conformational Change of Adrenodoxin Induced by Reduction of Iron-Sulfur Cluster ; _BMRB_accession_number 1153 _BMRB_flat_file_name bmr1153.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 Miura Shigetoshi . . 2 Ichikawa Yoshiyuki . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 47 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-14 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 ; Miura, Shigetoshi, Ichikawa, Yoshiyuki, "Conformational Change of Adrenodoxin Induced by Reduction of Iron-Sulfur Cluster," J. Biol. Chem. 266 (10), 6252-6258 (1991). ; _Citation_title 'Conformational Change of Adrenodoxin Induced by Reduction of Iron-Sulfur Cluster' _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 Miura Shigetoshi . . 2 Ichikawa Yoshiyuki . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 266 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6252 _Page_last 6258 _Year 1991 _Details . save_ ################################## # Molecular system description # ################################## save_system_adrenodoxin _Saveframe_category molecular_system _Mol_system_name adrenodoxin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label adrenodoxin $adrenodoxin stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_adrenodoxin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common adrenodoxin _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 127 _Mol_residue_sequence ; XXXXXXXXXHFXXXXXXXXT TXGXIGXXXXXXXVXXXXXX XXXXXXXXXXXXXXXXXXFX XHXFXXXXXXXXXXXXXXXX AYXXXXXXXXXXXXXXXXXX XXXTXXXXXXXXXAXXXIXX XXXXXXI ; 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 HIS 11 PHE 12 X 13 X 14 X 15 X 16 X 17 X 18 X 19 X 20 THR 21 THR 22 X 23 GLY 24 X 25 ILE 26 GLY 27 X 28 X 29 X 30 X 31 X 32 X 33 X 34 VAL 35 X 36 X 37 X 38 X 39 X 40 X 41 X 42 X 43 X 44 X 45 X 46 X 47 X 48 X 49 X 50 X 51 X 52 X 53 X 54 X 55 X 56 X 57 X 58 X 59 PHE 60 X 61 X 62 HIS 63 X 64 PHE 65 X 66 X 67 X 68 X 69 X 70 X 71 X 72 X 73 X 74 X 75 X 76 X 77 X 78 X 79 X 80 X 81 ALA 82 TYR 83 X 84 X 85 X 86 X 87 X 88 X 89 X 90 X 91 X 92 X 93 X 94 X 95 X 96 X 97 X 98 X 99 X 100 X 101 X 102 X 103 X 104 THR 105 X 106 X 107 X 108 X 109 X 110 X 111 X 112 X 113 X 114 ALA 115 X 116 X 117 X 118 ILE 119 X 120 X 121 X 122 X 123 X 124 X 125 X 126 X 127 ILE stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-03-03 save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Tissue _Fraction $adrenodoxin cow 9909 Eukaryota Metazoa Bos primigenius 'adrenal gland' mitochondria 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 $adrenodoxin '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 7.4 . na temperature 301 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio_citation_label _Correction_value_citation_label TSP H . . ppm 0 . . . . . $entry_citation $entry_citation 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_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 adrenodoxin _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 . 10 HIS HA H 5.5 0.02 1 2 . 10 HIS HB2 H 2.68 0.02 2 3 . 10 HIS HB3 H 3.31 0.02 2 4 . 10 HIS HD2 H 6.71 0.02 1 5 . 10 HIS HE1 H 7.76 0.02 1 6 . 11 PHE HA H 5.23 0.02 1 7 . 11 PHE HB2 H 2.32 0.02 2 8 . 11 PHE HB3 H 3.06 0.02 2 9 . 11 PHE HD1 H 6.82 0.02 1 10 . 11 PHE HD2 H 6.82 0.02 1 11 . 25 ILE HA H 3.36 0.02 1 12 . 25 ILE HB H 1.8 0.02 1 13 . 34 VAL HA H 3.78 0.02 1 14 . 34 VAL HB H 2.19 0.02 1 15 . 59 PHE HA H 4.58 0.02 1 16 . 59 PHE HB2 H 3.2 0.02 1 17 . 59 PHE HB3 H 3.2 0.02 1 18 . 59 PHE HD1 H 7.58 0.02 1 19 . 59 PHE HD2 H 7.58 0.02 1 20 . 59 PHE HE1 H 7.11 0.02 1 21 . 59 PHE HE2 H 7.11 0.02 1 22 . 62 HIS HA H 4.51 0.02 1 23 . 62 HIS HB2 H 3.25 0.02 2 24 . 62 HIS HB3 H 3.11 0.02 2 25 . 62 HIS HD2 H 7.06 0.02 1 26 . 62 HIS HE1 H 7.91 0.02 1 27 . 64 PHE HA H 3.62 0.02 1 28 . 64 PHE HB2 H 3.16 0.02 2 29 . 64 PHE HB3 H 2.96 0.02 2 30 . 64 PHE HD1 H 6.94 0.02 1 31 . 64 PHE HD2 H 6.94 0.02 1 32 . 64 PHE HE1 H 7.27 0.02 1 33 . 64 PHE HE2 H 7.27 0.02 1 34 . 64 PHE HZ H 7.45 0.02 1 35 . 81 ALA HA H 4.23 0.02 1 36 . 81 ALA HB H .52 0.02 1 37 . 82 TYR HA H 4.16 0.02 1 38 . 82 TYR HB2 H 2.72 0.02 2 39 . 82 TYR HB3 H 2.86 0.02 2 40 . 82 TYR HD1 H 6.96 0.02 1 41 . 82 TYR HD2 H 6.96 0.02 1 42 . 82 TYR HE1 H 6.84 0.02 1 43 . 82 TYR HE2 H 6.84 0.02 1 44 . 114 ALA HA H 4.21 0.02 1 45 . 114 ALA HB H 1.4 0.02 1 46 . 118 ILE HA H 4.21 0.02 1 47 . 118 ILE HB H 1.92 0.02 1 stop_ save_