Structure of PDB 6xkz Chain n Binding Site BS02

Receptor Information
>6xkz Chain n (length=471) Species: 272942 (Rhodobacter capsulatus SB 1003) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKDEYFDGVIRAGVIATTFWGIVGFLVAVIIAFQLAFPALNLEFGNGMLN
FGRLRPLHTSAVIFAFGGNALIASAFYVVQRTSAARLFGGTALGWFVFWG
WQLIIVTAATSYLLGGSQGKEYAELNWHLDILVAIVWVAYLIAFLGTIFK
RKEPHIYVANWFYLSFIVTIAMLHIVNNLAVPVSIFGTKSVQLMAGVQDA
MTQWWYGHNAVGFFLTAGFLGMMYYFVPKQAERPVYSYKLSIVHFWALIF
LYIWAGPHHLHYTALPDWASTLGMVMSVILWMPSWGGMINGLMTLSGAWD
KLRTDPVIRMMVVSIGFYGMSTFEGPMMSIKAVNSLSHYTDWTIGHVHSG
ALGWNGMITFGMLYFLTPRLWGRSGLYSLKLVSWHFWLATIGIVLYASSM
WVSGIMEGLMWREVDAQGFLVNGFADTVGAKFPMNVVRGVGGVLYLTGGL
IMAYNLWATVAKQPKTANLAV
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 n Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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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)		F81 A84 V85 A88 R111 H114 V118 E177 Y178 I400 V403 H404 A407 L408 Y452 R494 G498
Binding residue
(residue number reindexed from 1)		F25 A28 V29 A32 R55 H58 V62 E121 Y122 I344 V347 H348 A351 L352 Y396 R438 G442
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.9: cytochrome-c oxidase.
Gene Ontology
Molecular Function
GO:0004129 cytochrome-c oxidase activity
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0006119 oxidative phosphorylation
GO:0009060 aerobic respiration
GO:0015990 electron transport coupled proton transport
GO:0022904 respiratory electron transport chain
Cellular Component
GO:0005886 plasma membrane
GO:0016020 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
UniProtD5ARP4

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