data_332 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Proton NMR Comparison of the Saccharomyces cerevisiae Ferricytochrome c Isozyme-1 Monomer and Covalent Disulfide Dimer ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Moench Susan J. . 2 Satterlee James D. . stop_ _BMRB_accession_number 332 _BMRB_flat_file_name bmr332.str _Entry_type revision _Submission_date 1995-07-31 _Accession_date 1996-04-12 _Entry_origination BMRB _NMR_STAR_version 2.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 10 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-04-12 revision BMRB 'Error corrected in abrreviations given to non-polymers' 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 ; Moench, Susan J., Satterlee, James D., "Proton NMR Comparison of the Saccharomyces cerevisiae Ferricytochrome c Isozyme-1 Monomer and Covalent Disulfide Dimer," J. Biol. Chem. 264 (17), 9923-9931 (1989). ; _Citation_title ; Proton NMR Comparison of the Saccharomyces cerevisiae Ferricytochrome c Isozyme-1 Monomer and Covalent Disulfide Dimer ; _Citation_status published _Citation_type journal _MEDLINE_UI_code ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Moench Susan J. . 2 Satterlee James D. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 264 _Journal_issue 17 _Page_first 9923 _Page_last 9931 _Year 1989 save_ ################################## # Molecular system description # ################################## save_system_cytochrome_c _Saveframe_category molecular_system _Mol_system_name 'cytochrome c' _Abbreviation_common ? loop_ _Mol_system_component_name _Mol_label 'cytochrome c' $cytochrome_c stop_ _System_physical_state ? _System_oligomer_state ? _System_paramagnetic ? save_ ######################## # Monomeric polymers # ######################## save_cytochrome_c _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'cytochrome c' _Name_variant dithiobis(2-nitrobenzoate) _Abbreviation_common ? ############################## # Polymer residue sequence # ############################## _Residue_count 107 _Mol_residue_sequence ; XXXXXXXXXXXXXXFXXXXXXXHXXXXXXXXXXXPXXXXXXXXXXXXXXXXXXXXXXXXXXXXWXXXXXXXXLXXXXXXXXXXXMXFXXXXXXXXXXXXXXXXXXXX ; 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 X 13 X 14 X 15 PHE 16 X 17 X 18 X 19 C_heme_c 20 X 21 X 22 C_heme_c 23 HIS 24 X 25 X 26 X 27 X 28 X 29 X 30 X 31 X 32 X 33 X 34 X 35 PRO 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 X 60 X 61 X 62 X 63 X 64 TRP 65 X 66 X 67 X 68 X 69 X 70 X 71 X 72 X 73 LEU 74 X 75 X 76 X 77 Tml 78 X 79 X 80 X 81 X 82 X 83 X 84 X 85 MET 86 X 87 PHE 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 X 105 X 106 X 107 TNB_C stop_ save_ ###################### # Polymer residues # ###################### save_C_heme_c _Saveframe_category polymer_residue _Mol_type non-polymer _Name_common 'L-cysteine-Sg-heme c' _Abbreviation_common C_heme_c loop_ _Mol_label _Residue_seq_code $C_heme_c . $C_heme_c . stop_ _Mol_paramagnetic ? save_ save_Tml _Saveframe_category polymer_residue _Mol_type non-polymer _Name_common epsilon-N-trimethyl-L-lysine _Abbreviation_common Tml loop_ _Mol_label _Residue_seq_code $Tml . stop_ _Mol_paramagnetic ? save_ save_TNB_C _Saveframe_category polymer_residue _Mol_type non-polymer _Name_common 'S-5-thio-2-nitrobenzoate L-cysteine' _Abbreviation_common TNB_C loop_ _Mol_label _Residue_seq_code $TNB_C . stop_ _Mol_paramagnetic ? save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Genus _Species _Strain _Fraction $cytochrome_c yeast ? Saccharomyces cerevisiae generic mitochondria stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method $cytochrome_c 'not available' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling ? ? ? ? stop_ save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . na temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Saveframe_category chemical_shift_reference loop_ _Mol_common_name _Atom_type _Chem_shift_units _Chem_shift_value H2O/HDO H ppm 4.6 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique (geminal atoms and geminal methyl # # groups with identical chemical shifts # # are assumed to be assigned to # # stereospecific atoms) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 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) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_data_set_one _Saveframe_category assigned_chemical_shifts 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 'cytochrome c' loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 23 HIS HA H 8.98 . 1 2 23 HIS HB2 H 9.11 . 2 3 23 HIS HB3 H 15 . 2 4 23 HIS HD2 H 26.3 . 1 5 23 HIS HE1 H -26.6 . 1 6 35 PRO HD2 H -5.34 . 1 7 35 PRO HD3 H -5.34 . 1 8 85 MET HG2 H -32.3 . 1 9 85 MET HG3 H -32.3 . 1 10 85 MET HE H -22.6 . 1 stop_ save_