data_2489 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of hyperfine-shifted resonances in yeast ferricytochrome c isozyme 2 using the proton pre-steady-state nuclear Overhauser effect ; _BMRB_accession_number 2489 _BMRB_flat_file_name bmr2489.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-04-12 _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 Satterlee James D. . 2 Avizonis Daina Z. . 3 Moench Susan J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 3 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-17 revision BMRB 'Complete natural source information' 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 ; Satterlee, James D., Avizonis, Daina Z., Moench, Susan J., "Assignment of hyperfine-shifted resonances in yeast ferricytochrome c isozyme 2 using the proton pre-steady-state nuclear Overhauser effect," Biochim. Biophys. Acta 952, 317-324 (1988). ; _Citation_title 'Assignment of hyperfine-shifted resonances in yeast ferricytochrome c isozyme 2 using the proton pre-steady-state nuclear Overhauser effect' _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 Satterlee James D. . 2 Avizonis Daina Z. . 3 Moench Susan J. . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta' _Journal_volume 952 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 317 _Page_last 324 _Year 1988 _Details . save_ ################################## # Molecular system description # ################################## save_system_cytochrome_c _Saveframe_category molecular_system _Mol_system_name 'cytochrome c' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'cytochrome c' $cytochrome_c stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_cytochrome_c _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'cytochrome c' _Name_variant 'isozyme 2' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 112 _Mol_residue_sequence ; AKESTGFKPGSAKKGATLFK KRXQQXHTIEEGGPNKVGPN LHGIFGRHSGQVKGYSYYTA NINKNVKWDEDSMSEYLTNP KKYIPGTKMAFAGLKKEKDR NDLITYMTKAAK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -8 ALA 2 -7 LYS 3 -6 GLU 4 -5 SER 5 -4 THR 6 -3 GLY 7 -2 PHE 8 -1 LYS 9 0 PRO 10 1 GLY 11 2 SER 12 3 ALA 13 4 LYS 14 5 LYS 15 6 GLY 16 7 ALA 17 8 THR 18 9 LEU 19 10 PHE 20 11 LYS 21 12 LYS 22 13 ARG 23 14 C_heme_c 24 15 GLN 25 16 GLN 26 17 C_heme_c 27 18 HIS 28 19 THR 29 20 ILE 30 21 GLU 31 22 GLU 32 23 GLY 33 24 GLY 34 25 PRO 35 26 ASN 36 27 LYS 37 28 VAL 38 29 GLY 39 30 PRO 40 31 ASN 41 32 LEU 42 33 HIS 43 34 GLY 44 35 ILE 45 36 PHE 46 37 GLY 47 38 ARG 48 39 HIS 49 40 SER 50 41 GLY 51 42 GLN 52 43 VAL 53 44 LYS 54 45 GLY 55 46 TYR 56 47 SER 57 48 TYR 58 49 TYR 59 50 THR 60 51 ALA 61 52 ASN 62 53 ILE 63 54 ASN 64 55 LYS 65 56 ASN 66 57 VAL 67 58 LYS 68 59 TRP 69 60 ASP 70 61 GLU 71 62 ASP 72 63 SER 73 64 MET 74 65 SER 75 66 GLU 76 67 TYR 77 68 LEU 78 69 THR 79 70 ASN 80 71 PRO 81 72 LYS 82 73 LYS 83 74 TYR 84 75 ILE 85 76 PRO 86 77 GLY 87 78 THR 88 79 LYS 89 80 MET 90 81 ALA 91 82 PHE 92 83 ALA 93 84 GLY 94 85 LEU 95 86 LYS 96 87 LYS 97 88 GLU 98 89 LYS 99 90 ASP 100 91 ARG 101 92 ASN 102 93 ASP 103 94 LEU 104 95 ILE 105 96 THR 106 97 TYR 107 98 MET 108 99 THR 109 100 LYS 110 101 ALA 111 102 ALA 112 103 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-04 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 1416 "cytochrome c" 100.00 112 100.00 100.00 1.82e-73 BMRB 228 "cytochrome c" 100.00 112 100.00 100.00 1.82e-73 BMRB 234 "cytochrome c" 100.00 112 100.00 100.00 1.82e-73 BMRB 2488 "cytochrome c" 100.00 112 100.00 100.00 1.82e-73 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 _BMRB_code . _PDB_code . _Standard_residue_derivative . loop_ _Mol_label _Residue_seq_code $cytochrome_c 23 $cytochrome_c 26 stop_ _Molecular_mass . _Mol_paramagnetic no _Details . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $cytochrome_c yeast 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $cytochrome_c '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 . _Model . _Field_strength . _Details . 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 6.9 . na temperature 312 . 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 HOD H . . ppm 4.63 . . . . . $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 'cytochrome c' _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 . 27 HIS HA H 8.9 . 1 2 . 27 HIS HB2 H 8.7 . 1 3 . 27 HIS HB3 H 8.7 . 1 stop_ save_