Structure of PDB 6xkw Chain o Binding Site BS01

Receptor Information
>6xkw Chain o (length=190) Species: 272942 (Rhodobacter capsulatus SB 1003) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VLEKNATLLLIFAFLVVTIGGIVEIAPLFYLENTIEKVEGMRPYTPLELT
GRDIYIREGCYVCHSQMIRPMRDEVERYGHYSLAAESMYDHPFQWGSKRT
GPDLARVGGRYSDAWHVEHLSNPQSVVPESVMPSYSYLANVPLDSTWIED
RVSTDALVGVPYSAEMIAAATEMDALVAYLQVLGTMVDFS
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 o Residue 301 [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)		C68 C71 H72 G109 P110 Y119 H127 L128 V135 S138 V139 M140 P141 Y143
Binding residue
(residue number reindexed from 1)		C60 C63 H64 G101 P102 Y111 H119 L120 V127 S130 V131 M132 P133 Y135
Annotation score4
Enzymatic activity
Enzyme Commision number 1.9.3.1: Transferred entry: 7.1.1.9.
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:6xkw, PDBe:6xkw, PDBj:6xkw
PDBsum6xkw
PubMed33568648
UniProtD5ARP5

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