Structure of PDB 6xkz Chain p Binding Site BS01

Receptor Information
>6xkz 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 chain6xkz 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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PDB6xkz Cryo-EM structures of engineered active bc 1 -cbb 3 type CIII 2 CIV super-complexes and electronic communication between the complexes.
Resolution7.2 Å
Binding residue
(original residue number in PDB)		M174 P175 H177 C219 C222 H223 G234 A235 P236 Y245 I256 R260 G262
Binding residue
(residue number reindexed from 1)		M142 P143 H145 C187 C190 H191 G202 A203 P204 Y213 I224 R228 G230
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:6xkz, PDBe:6xkz, PDBj:6xkz
PDBsum6xkz
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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