data_649 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; N.m.r. and e.p.r. characterization of [4-carboxy-2,6-dinitrophenyllysine]cytochromes c ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Falk Karl-Erik . . 2 Jovall Per-Ake . . 3 Angstrom Jonas . . stop_ _BMRB_accession_number 649 _BMRB_flat_file_name bmr649.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' 4 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 ; Falk, Karl-Erik, Jovall, Per-Ake, Angstrom, Jonas, "N.m.r. and e.p.r. characterization of [4-carboxy-2,6-dinitrophenyllysine]cytochromes c," Biochem. J. 193, 1021-1024 (1981). ; _Citation_title ; N.m.r. and e.p.r. characterization of [4-carboxy-2,6-dinitrophenyllysine]cytochromes c ; _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 Falk Karl-Erik . . 2 Jovall Per-Ake . . 3 Angstrom Jonas . . stop_ _Journal_abbreviation 'Biochem. J.' _Journal_volume 193 _Page_first 1021 _Page_last 1024 _Year 1981 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 K72-[4-carboxy-2,6-dinitrophenyl-lysine] _Abbreviation_common ? ############################## # Polymer residue sequence # ############################## _Residue_count 72 _Mol_residue_sequence ; XDVEKGKKIFVQKXAQXHTVEKGGKHKTGPNLHGLFGRKTGQAPGFTYTDANKNKGITWKEETLMEYLENPX ; loop_ _Residue_seq_code _Residue_label 1 Ac_G 2 ASP 3 VAL 4 GLU 5 LYS 6 GLY 7 LYS 8 LYS 9 ILE 10 PHE 11 VAL 12 GLN 13 LYS 14 C_heme_c 15 ALA 16 GLN 17 C_heme_c 18 HIS 19 THR 20 VAL 21 GLU 22 LYS 23 GLY 24 GLY 25 LYS 26 HIS 27 LYS 28 THR 29 GLY 30 PRO 31 ASN 32 LEU 33 HIS 34 GLY 35 LEU 36 PHE 37 GLY 38 ARG 39 LYS 40 THR 41 GLY 42 GLN 43 ALA 44 PRO 45 GLY 46 PHE 47 THR 48 TYR 49 THR 50 ASP 51 ALA 52 ASN 53 LYS 54 ASN 55 LYS 56 GLY 57 ILE 58 THR 59 TRP 60 LYS 61 GLU 62 GLU 63 THR 64 LEU 65 MET 66 GLU 67 TYR 68 LEU 69 GLU 70 ASN 71 PRO 72 CDNP_K stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 1058 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 1107 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 1108 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 1109 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 1110 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 1111 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 1112 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 1113 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 1114 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 1116 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 1170 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 1171 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 1404 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 16759 cytochrome_c 97.22 104 97.14 97.14 1.17e-40 BMRB 17340 cytc 97.22 104 97.14 97.14 1.17e-40 BMRB 1736 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 1783 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 17847 hCc 97.22 104 97.14 97.14 1.17e-40 BMRB 17848 hCc 97.22 104 97.14 97.14 1.17e-40 BMRB 1785 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 1787 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 1789 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 216 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 220 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 224 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 2366 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 2367 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 2368 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 243 "cytochrome c" 97.22 104 97.14 97.14 1.17e-40 BMRB 244 "cytochrome c" 97.22 104 97.14 97.14 1.17e-40 BMRB 274 "cytochrome c" 97.22 104 97.14 97.14 1.17e-40 BMRB 285 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 286 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 316 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 317 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 336 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 4189 hh_cytc 97.22 104 97.14 97.14 1.17e-40 BMRB 436 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 437 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 438 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 439 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 4805 cytc 97.22 104 97.14 97.14 1.17e-40 BMRB 4808 cytc 97.22 104 97.14 97.14 1.17e-40 BMRB 4809 cytc 97.22 104 97.14 97.14 1.17e-40 BMRB 4810 cytc 97.22 104 97.14 97.14 1.17e-40 BMRB 499 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 5026 cytochrome 97.22 104 97.14 97.14 1.17e-40 BMRB 5372 cyt_c 97.22 104 97.14 97.14 1.17e-40 BMRB 543 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 544 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 545 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 546 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 5660 cyt_c 97.22 104 97.14 97.14 1.17e-40 BMRB 5829 cyt_c 97.22 104 97.14 97.14 1.17e-40 BMRB 5830 cyt_c 97.22 104 97.14 97.14 1.17e-40 BMRB 630 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 645 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 646 cytochrome_c 97.22 72 98.57 98.57 9.16e-40 BMRB 647 cytochrome_c 97.22 72 98.57 98.57 9.16e-40 BMRB 648 cytochrome_c 97.22 72 98.57 98.57 9.16e-40 BMRB 665 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 672 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 673 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 944 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 946 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 947 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 BMRB 948 cytochrome_c 97.22 104 100.00 100.00 1.64e-40 PDB 1AKK "Solution Structure Of Oxidized Horse Heart Cytochrome C, Nmr, Minimized Average Structure" 97.22 104 97.14 97.14 1.17e-40 PDB 1CRC "Cytochrome C At Low Ionic Strength" 97.22 105 97.14 97.14 1.21e-40 PDB 1FI7 "Solution Structure Of The Imidazole Complex Of Cytochrome C" 97.22 104 97.14 97.14 1.17e-40 PDB 1FI9 "Solution Structure Of The Imidazole Complex Of Cytochrome C" 97.22 104 97.14 97.14 1.17e-40 PDB 1GIW "Solution Structure Of Reduced Horse Heart Cytochrome C, Nmr, Minimized Average Structure" 97.22 104 97.14 97.14 1.10e-40 PDB 1HRC "High-Resolution Three-Dimensional Structure Of Horse Heart Cytochrome C" 97.22 105 97.14 97.14 1.21e-40 PDB 1I5T "Solution Structure Of Cyanoferricytochrome C" 97.22 104 97.14 97.14 1.17e-40 PDB 1LC1 "Solution Structure Of Reduced Horse Heart Cytochrome C In 30% Acetonitrile Solution, Nmr Minimized Average Structure" 97.22 104 97.14 97.14 1.17e-40 PDB 1LC2 "Solution Structure Of Reduced Horse Heart Cytochrome C In 30% Acetonitrile Solution, Nmr 30 Structures" 97.22 104 97.14 97.14 1.17e-40 PDB 1M60 "Solution Structure Of Zinc-Substituted Cytochrome C" 97.22 104 97.14 97.14 1.17e-40 PDB 1OCD "Cytochrome C (Oxidized) From Equus Caballus, Nmr, Minimized Average Structure" 97.22 104 97.14 97.14 1.17e-40 PDB 1U75 "Electron Transfer Complex Between Horse Heart Cytochrome C And Zinc- Porphyrin Substituted Cytochrome C Peroxidase" 97.22 104 97.14 97.14 1.17e-40 PDB 1WEJ "Igg1 Fab Fragment (Of E8 Antibody) Complexed With Horse Cytochrome C At 1.8 A Resolution" 97.22 105 97.14 97.14 1.21e-40 PDB 2FRC "Cytochrome C (Reduced) From Equus Caballus, Nmr, Minimized Average Structure" 97.22 104 97.14 97.14 1.17e-40 PDB 2GIW "Solution Structure Of Reduced Horse Heart Cytochrome C, Nmr, 40 Structures" 97.22 104 97.14 97.14 1.17e-40 PDB 2PCB "Crystal Structure Of A Complex Between Electron Transfer Partners, Cytochrome C Peroxidase And Cytochrome C" 97.22 104 97.14 97.14 1.17e-40 PDB 3NBS "Crystal Structure Of Dimeric Cytochrome C From Horse Heart" 97.22 104 97.14 97.14 1.17e-40 PDB 3NBT "Crystal Structure Of Trimeric Cytochrome C From Horse Heart" 97.22 104 97.14 97.14 1.17e-40 PDB 3O1Y "Electron Transfer Complexes: Experimental Mapping Of The Redox- Dependent Cytochrome C Electrostatic Surface" 97.22 105 97.14 97.14 1.21e-40 PDB 3O20 "Electron Transfer Complexes:experimental Mapping Of The Redox- Dependent Cytochrome C Electrostatic Surface" 97.22 105 97.14 97.14 1.21e-40 PDB 3WC8 "Dimeric Horse Cytochrome C Obtained By Refolding With Desalting Method" 97.22 104 97.14 97.14 1.17e-40 PDB 3WUI "Dimeric Horse Cytochrome C Formed By Refolding From Molten Globule State" 97.22 104 97.14 97.14 1.17e-40 PDB 4RSZ "The X-ray Structure Of The Primary Adduct Formed In The Reaction Between Cisplatin And Cytochrome C" 97.22 104 97.14 97.14 1.17e-40 GB AEB61027 "cytochrome c-like protein, partial [Equus caballus]" 97.22 127 97.14 97.14 4.82e-41 PRF 610169A "cytochrome c" 97.22 104 97.14 97.14 1.17e-40 REF XP_008535094 "PREDICTED: cytochrome c [Equus przewalskii]" 97.22 105 97.14 97.14 1.09e-40 SP P00004 "RecName: Full=Cytochrome c [Equus caballus]" 97.22 105 97.14 97.14 1.09e-40 stop_ save_ ###################### # Polymer residues # ###################### save_Ac_G _Saveframe_category polymer_residue _Mol_type non-polymer _Name_common N-acetylglycine _Abbreviation_common Ac_G loop_ _Mol_label _Residue_seq_code $Ac_G 1 stop_ _Mol_paramagnetic ? save_ 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 14 $C_heme_c 17 stop_ _Mol_paramagnetic ? save_ save_CDNP_K _Saveframe_category polymer_residue _Mol_type non-polymer _Name_common '4-carboxy-2,6-dinitrophenyl L-lysine' _Abbreviation_common CDNP_K loop_ _Mol_label _Residue_seq_code $CDNP_K 72 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 _Tissue $cytochrome_c 'domestic horse' ? Equus caballus generic heart 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 7 . na temperature 300 . 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 DSS H ppm 0 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 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 18 HIS HD2 H 23.93 . 1 2 80 MET HG2 H -28.58 . 1 3 80 MET HG3 H -28.58 . 1 4 80 MET HE H -24.08 . 1 stop_ save_