Structure of PDB 6fo6 Chain P Binding Site BS01

Receptor Information
>6fo6 Chain P (length=370) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LMKIVNNAFIDLPAPSNISSWWNFGSLLGICLILQILTGLFLAMHYTSDT
TTAFSSVTHICRDVNYGWIIRYMHANGASMFFICLYMHVGRGLYYGSYTF
LETWNIGVILLLTVMATAFMGYVLPWGQMSFWGATVITNLLSAIPYIGTN
LVEWIWGGFSVDKATLTRFFAFHFILPFIIMAIAMVHLLFLHETGSNNPT
GISSDVDKIPFHPYYTIKDILGALLLILALMLLVLFAPDLLGDPDNYTPA
NPLNTPPHIKPEWYFLFAYAILRSIPNKLGGVLALAFSILILALIPLLHT
SKQRSMMFRPLSQCLFWALVADLLTLTWIGGQPVEHPYITIGQLASVLYF
LLILVLMPTAGTIENKLLKW
Ligand information
Ligand IDHEM
InChIInChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKeyKABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
CACTVS 3.385CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C
ACDLabs 12.01C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C)C)\C=C)C)C)CCC(=O)O
FormulaC34 H32 Fe N4 O4
NamePROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBankDB18267
ZINC
PDB chain6fo6 Chain P Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6fo6 X-ray and cryo-EM structures of inhibitor-bound cytochromebc1complexes for structure-based drug discovery.
Resolution4.1 Å
Binding residue
(original residue number in PDB)		Q44 I45 G48 L49 R80 H83 A84 A127 G130 L133 H182 F183 P186
Binding residue
(residue number reindexed from 1)		Q35 I36 G39 L40 R71 H74 A75 A118 G121 L124 H173 F174 P177
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H201 S205 K227 D228 E271
Catalytic site (residue number reindexed from 1) H192 S196 K218 D219 E262
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008121 ubiquinol-cytochrome-c reductase activity
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
GO:0048039 ubiquinone binding
Biological Process
GO:0006122 mitochondrial electron transport, ubiquinol to cytochrome c
GO:0022904 respiratory electron transport chain
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0016020 membrane
GO:0031966 mitochondrial membrane
GO:0045275 respiratory chain complex III

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6fo6, PDBe:6fo6, PDBj:6fo6
PDBsum6fo6
PubMed29765610
UniProtP00157|CYB_BOVIN Cytochrome b (Gene Name=MT-CYB)

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