data_17053 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; A NMR-based docking model for the physiological transient complex between cytochrome f and cytochrome c6 ; _BMRB_accession_number 17053 _BMRB_flat_file_name bmr17053.str _Entry_type original _Submission_date 2010-07-13 _Accession_date 2010-07-13 _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 Diaz-Moreno Irene . . 2 Diaz-Quintana Antonio . . 3 Ubbink Marcellus . . 4 'De la Rosa' Miguel A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count binding_constants 1 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-09-08 original author . stop_ _Original_release_date 2010-09-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'An NMR-based docking model for the physiological transient complex between cytochrome f and cytochrome c6' _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 Diaz-Moreno Irene . . 2 Diaz-Quintana Antonio . . 3 Ubbink Marcellus . . 4 'De la Rosa' Miguel A. . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_volume 579 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2891 _Page_last 2896 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Cc6/Cf complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Cc6 $Cc6 Cf $Cf 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_Cc6 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Cc6 _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 80 _Mol_residue_sequence ; NEQLAKQKGCMACHDLKAKK VGPAYADVAKKYAGRKDAVD YLAGKIKKGGSGVWGSVPMP PQNVTDAEAKQLAQWILSIK ; loop_ _Residue_seq_code _Residue_label 1 ASN 2 GLU 3 GLN 4 LEU 5 ALA 6 LYS 7 GLN 8 LYS 9 GLY 10 CYS 11 MET 12 ALA 13 CYS 14 HIS 15 ASP 16 LEU 17 LYS 18 ALA 19 LYS 20 LYS 21 VAL 22 GLY 23 PRO 24 ALA 25 TYR 26 ALA 27 ASP 28 VAL 29 ALA 30 LYS 31 LYS 32 TYR 33 ALA 34 GLY 35 ARG 36 LYS 37 ASP 38 ALA 39 VAL 40 ASP 41 TYR 42 LEU 43 ALA 44 GLY 45 LYS 46 ILE 47 LYS 48 LYS 49 GLY 50 GLY 51 SER 52 GLY 53 VAL 54 TRP 55 GLY 56 SER 57 VAL 58 PRO 59 MET 60 PRO 61 PRO 62 GLN 63 ASN 64 VAL 65 THR 66 ASP 67 ALA 68 GLU 69 ALA 70 LYS 71 GLN 72 LEU 73 ALA 74 GLN 75 TRP 76 ILE 77 LEU 78 SER 79 ILE 80 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-19 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 10134 "cytochrome c552" 100.00 80 100.00 100.00 7.15e-49 BMRB 10135 "cytochrome c552" 100.00 80 100.00 100.00 7.15e-49 BMRB 25389 wt_cytc 100.00 80 100.00 100.00 7.15e-49 BMRB 25390 axxa_cytc 100.00 80 97.50 97.50 6.34e-47 PDB 1AYG "Solution Structure Of Cytochrome C-552, Nmr, 20 Structures" 98.75 80 100.00 100.00 7.67e-48 PDB 1YNR "Crystal Structure Of The Cytochrome C-552 From Hydrogenobacter Thermophilus At 2.0 Resolution" 100.00 80 100.00 100.00 7.15e-49 PDB 2AI5 "Solution Structure Of Cytochrome C552, Determined By Distributed Computing Implementation For Nmr Data" 98.75 80 100.00 100.00 7.67e-48 PDB 3VYM "Dimeric Hydrogenobacter Thermophilus Cytochrome C552" 100.00 80 100.00 100.00 7.15e-49 DBJ BAI69446 "cytochrome c-552 [Hydrogenobacter thermophilus TK-6]" 100.00 98 100.00 100.00 2.95e-49 EMBL CAA40902 "cytochrome c-552 [Hydrogenobacter thermophilus TK-6]" 100.00 98 100.00 100.00 2.95e-49 GB ADO45379 "cytochrome c class I [Hydrogenobacter thermophilus TK-6]" 100.00 98 100.00 100.00 2.95e-49 REF WP_012963626 "cytochrome c-552 [Hydrogenobacter thermophilus]" 100.00 98 100.00 100.00 2.95e-49 SP P15452 "RecName: Full=Cytochrome c-552; AltName: Full=Cytochrome c552; Flags: Precursor" 100.00 98 100.00 100.00 2.95e-49 stop_ save_ save_Cf _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Cf _Molecular_mass . _Mol_thiol_state 'not reported' _Details . _Residue_count 250 _Mol_residue_sequence ; YPIFAQQNYENPREATGRIV CANCHLASKPVDIEVPQAVL PDTVFEAVVKIPYDMQLKQV LANGKKGALNVGAVLILPEG FELAPPDRISPEMKEKIGNL SFQNYRPNKKNILVIGPVPG QKYSEITFPILAPDPATNKD VHFLKYPIYVGGNRGRGQIY PDGSKSNNTVYNATAGGIIS KILRKEKGGYEITIVDASNE RQVIDIIPRGLELLVSEGES IKLDQPLTSNPNVGGFGQGD AEIVLQDPLR ; loop_ _Residue_seq_code _Residue_label 1 TYR 2 PRO 3 ILE 4 PHE 5 ALA 6 GLN 7 GLN 8 ASN 9 TYR 10 GLU 11 ASN 12 PRO 13 ARG 14 GLU 15 ALA 16 THR 17 GLY 18 ARG 19 ILE 20 VAL 21 CYS 22 ALA 23 ASN 24 CYS 25 HIS 26 LEU 27 ALA 28 SER 29 LYS 30 PRO 31 VAL 32 ASP 33 ILE 34 GLU 35 VAL 36 PRO 37 GLN 38 ALA 39 VAL 40 LEU 41 PRO 42 ASP 43 THR 44 VAL 45 PHE 46 GLU 47 ALA 48 VAL 49 VAL 50 LYS 51 ILE 52 PRO 53 TYR 54 ASP 55 MET 56 GLN 57 LEU 58 LYS 59 GLN 60 VAL 61 LEU 62 ALA 63 ASN 64 GLY 65 LYS 66 LYS 67 GLY 68 ALA 69 LEU 70 ASN 71 VAL 72 GLY 73 ALA 74 VAL 75 LEU 76 ILE 77 LEU 78 PRO 79 GLU 80 GLY 81 PHE 82 GLU 83 LEU 84 ALA 85 PRO 86 PRO 87 ASP 88 ARG 89 ILE 90 SER 91 PRO 92 GLU 93 MET 94 LYS 95 GLU 96 LYS 97 ILE 98 GLY 99 ASN 100 LEU 101 SER 102 PHE 103 GLN 104 ASN 105 TYR 106 ARG 107 PRO 108 ASN 109 LYS 110 LYS 111 ASN 112 ILE 113 LEU 114 VAL 115 ILE 116 GLY 117 PRO 118 VAL 119 PRO 120 GLY 121 GLN 122 LYS 123 TYR 124 SER 125 GLU 126 ILE 127 THR 128 PHE 129 PRO 130 ILE 131 LEU 132 ALA 133 PRO 134 ASP 135 PRO 136 ALA 137 THR 138 ASN 139 LYS 140 ASP 141 VAL 142 HIS 143 PHE 144 LEU 145 LYS 146 TYR 147 PRO 148 ILE 149 TYR 150 VAL 151 GLY 152 GLY 153 ASN 154 ARG 155 GLY 156 ARG 157 GLY 158 GLN 159 ILE 160 TYR 161 PRO 162 ASP 163 GLY 164 SER 165 LYS 166 SER 167 ASN 168 ASN 169 THR 170 VAL 171 TYR 172 ASN 173 ALA 174 THR 175 ALA 176 GLY 177 GLY 178 ILE 179 ILE 180 SER 181 LYS 182 ILE 183 LEU 184 ARG 185 LYS 186 GLU 187 LYS 188 GLY 189 GLY 190 TYR 191 GLU 192 ILE 193 THR 194 ILE 195 VAL 196 ASP 197 ALA 198 SER 199 ASN 200 GLU 201 ARG 202 GLN 203 VAL 204 ILE 205 ASP 206 ILE 207 ILE 208 PRO 209 ARG 210 GLY 211 LEU 212 GLU 213 LEU 214 LEU 215 VAL 216 SER 217 GLU 218 GLY 219 GLU 220 SER 221 ILE 222 LYS 223 LEU 224 ASP 225 GLN 226 PRO 227 LEU 228 THR 229 SER 230 ASN 231 PRO 232 ASN 233 VAL 234 GLY 235 GLY 236 PHE 237 GLY 238 GLN 239 GLY 240 ASP 241 ALA 242 GLU 243 ILE 244 VAL 245 LEU 246 GLN 247 ASP 248 PRO 249 LEU 250 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 PDB 1CTM "Crystal Structure Of Chloroplast Cytochrome F Reveals A Novel Cytochrome Fold And Unexpected Heme Ligation" 100.00 250 100.00 100.00 7.41e-178 PDB 1HCZ "Lumen-Side Domain Of Reduced Cytochrome F At-35 Degrees Celsius" 100.00 252 100.00 100.00 6.06e-178 PDB 1TKW "The Transient Complex Of Poplar Plastocyanin With Turnip Cytochrome F Determined With Paramagnetic Nmr" 100.00 252 100.00 100.00 6.06e-178 PDB 2PCF "The Complex Of Cytochrome F And Plastocyanin Determined With Paramagnetic Nmr. Based On The Structures Of Cytochrome F And Plas" 100.00 250 100.00 100.00 7.41e-178 DBJ BAA84398 "cytochrome f [Arabidopsis thaliana]" 100.00 320 98.40 99.20 3.47e-176 DBJ BAF49783 "cytochrome f [Aethionema cordifolium]" 100.00 322 98.80 99.20 5.45e-177 DBJ BAF49867 "cytochrome f [Aethionema grandiflorum]" 100.00 322 98.40 98.80 8.11e-176 DBJ BAF49952 "cytochrome f [Olimarabidopsis pumila]" 100.00 320 97.20 98.40 2.88e-174 DBJ BAF50036 "cytochrome f [Arabis hirsuta]" 100.00 320 99.60 100.00 2.85e-179 EMBL CAA54307 "cytochrome f [Brassica rapa]" 100.00 320 100.00 100.00 1.70e-179 EMBL CCW28192 "petA protein (chloroplast) [Arabis alpina]" 100.00 320 99.60 99.60 1.15e-178 EMBL CDX92360 "BnaA10g13990D [Brassica napus]" 100.00 320 99.60 99.60 1.23e-178 EMBL CDX99939 "BnaC09g27660D [Brassica napus]" 100.00 320 99.60 99.60 1.23e-178 EMBL CDY20523 "BnaC07g11900D [Brassica napus]" 100.00 320 99.60 99.60 1.23e-178 GB ACY66226 "cytochrome f [Brassica napus]" 100.00 320 100.00 100.00 1.70e-179 GB AFM92292 "cytochrome f (chloroplast) [Pachycladon cheesemanii]" 100.00 320 98.00 99.20 6.99e-176 GB AFQ07804 "cytochrome f (chloroplast) [Pachycladon enysii]" 100.00 320 98.40 99.20 2.79e-176 GB AIE42479 "cytochrome f (chloroplast) [Raphanus sativus]" 100.00 320 99.20 100.00 1.93e-178 GB AIK29017 "cytochrome f (chloroplast) [Brassica napus]" 100.00 320 100.00 100.00 1.70e-179 REF NP_051072 "cytochrome f [Arabidopsis thaliana]" 100.00 320 98.40 99.20 3.47e-176 REF XP_002888345 "cytochrome f [Arabidopsis lyrata subsp. lyrata]" 100.00 317 97.20 99.20 4.69e-175 REF YP_001122959 "cytochrome f [Aethionema cordifolium]" 100.00 322 98.80 99.20 5.45e-177 REF YP_001123043 "cytochrome f [Aethionema grandiflorum]" 100.00 322 98.40 98.80 8.11e-176 REF YP_001123128 "cytochrome f [Olimarabidopsis pumila]" 100.00 320 97.20 98.40 2.88e-174 SP A4QJC8 "RecName: Full=Apocytochrome f; Flags: Precursor (chloroplast) [Aethionema cordifolium]" 100.00 322 98.80 99.20 5.45e-177 SP A4QJL2 "RecName: Full=Apocytochrome f; Flags: Precursor (chloroplast) [Aethionema grandiflorum]" 100.00 322 98.40 98.80 8.11e-176 SP A4QJZ7 "RecName: Full=Apocytochrome f; Flags: Precursor (chloroplast) [Olimarabidopsis pumila]" 100.00 320 97.20 98.40 2.88e-174 SP A4QK31 "RecName: Full=Apocytochrome f; Flags: Precursor (chloroplast) [Arabis hirsuta]" 100.00 320 99.60 100.00 2.85e-179 SP A4QKB8 "RecName: Full=Apocytochrome f; Flags: Precursor (chloroplast) [Barbarea verna]" 100.00 320 98.40 99.20 2.08e-176 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Cc6 Nostoc 1168 Bacteria . Nostoc . $Cf Nostoc 1168 Bacteria . Nostoc . 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 $Cc6 'recombinant technology' 'E. coli' Escherichia coli . 'pEACWT and pEC86' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'Cc6 was titrated with the Cf solution' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 10 mM 'natural abundance' $Cc6 0.2 mM [U-15N] $Cf 3.7 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AZARA _Saveframe_category software _Name AZARA _Version . loop_ _Vendor _Address _Electronic_address Boucher . . stop_ loop_ _Task processing stop_ _Details . save_ save_ANSIG _Saveframe_category software _Name ANSIG _Version . loop_ _Vendor _Address _Electronic_address Kraulis . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_ORIGIN _Saveframe_category software _Name ORIGIN _Version 6.0 loop_ _Vendor _Address _Electronic_address '(Microcal Inc., USA)' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 . pH pressure 1 . atm temperature 298 . K stop_ save_