Structure of PDB 6xkw Chain n Binding Site BS02

Receptor Information
>6xkw 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 chain6xkw Chain n Residue 601 [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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PDB6xkw Cryo-EM structures of engineered active bc 1 -cbb 3 type CIII 2 CIV super-complexes and electronic communication between the complexes.
Resolution5.2 Å
Binding residue
(original residue number in PDB)		E177 W260 V267 Y308 H314 H315 L336 T378 G381 P382 M384 S385 H394 T399 H402 V403 G406 N411
Binding residue
(residue number reindexed from 1)		E121 W204 V211 Y252 H258 H259 L280 T322 G325 P326 M328 S329 H338 T343 H346 V347 G350 N355
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:6xkw, PDBe:6xkw, PDBj:6xkw
PDBsum6xkw
PubMed33568648
UniProtD5ARP4

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