Structure of PDB 6xkx Chain p Binding Site BS02

Receptor Information
>6xkx Chain p (length=254) Species: 272942 (Rhodobacter capsulatus SB 1003) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTGHSWDGIEELNTPLPRWWLWTFYATIVWGVAYSIAMPAATPGILGSST
RADVEKDIAKFAEMNKAVEDKLVATDLTAIAADPELVTYTRNAGAAVFRT
WCAQCHGAGAGGNTGFPSLLDGDWLHGGSIETIYTNIKHGIMPAHLTDEL
LEPAQIDDVVQYVLKISGQPADEARATAGQQVFADNCVSCHGEDAKGMVE
MGAPNLTDGIWLYGGDANTITTTIQLGRGGVMPSWSWAAAQIRAVASYVH
SLGG
Ligand information
Ligand IDHEC
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,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;
InChIKeyHXQIYSLZKNYNMH-LJNAALQVSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CCC1=C(C2=CC6=C(C(=C/C)\C5=CC4=C(C(\C3=Cc7c(c(c8C=C1N2[Fe](N34)(N56)n78)CCC(=O)O)C)=C/C)C)C)C
OpenEye OEToolkits 1.5.0CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C
CACTVS 3.341C\C=C1/C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)\C7=C/C)C=C1N2[Fe@@]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C
CACTVS 3.341CC=C1C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)C7=CC)C=C1N2[Fe]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C
FormulaC34 H34 Fe N4 O4
NameHEME C
ChEMBL
DrugBank
ZINC
PDB chain6xkx Chain p Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6xkx Cryo-EM structures of engineered active bc 1 -cbb 3 type CIII 2 CIV super-complexes and electronic communication between the complexes.
Resolution6.1 Å
Binding residue
(original residue number in PDB)		C121 C124 H125 F135 P136 W143 L144 H145 N155 I156 I160 V263 M264 P265 W267
Binding residue
(residue number reindexed from 1)		C102 C105 H106 F116 P117 W124 L125 H126 N136 I137 I141 V231 M232 P233 W235
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0006119 oxidative phosphorylation
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6xkx, PDBe:6xkx, PDBj:6xkx
PDBsum6xkx
PubMed33568648
UniProtD5ARP7|CCOP_RHOCB Cbb3-type cytochrome c oxidase subunit CcoP (Gene Name=ccoP);
Q05389|CYCY_RHOCB Cytochrome c-type cyt cy (Gene Name=cycY)

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