Structure of PDB 8q4h Chain A Binding Site BS03

Receptor Information
>8q4h Chain A (length=503) Species: 884048 (Desulfitobacterium hafniense TCE1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSEFPYKVDAKYQRYNSLKNFFEKTFDPEANKTPIKFHYDDVSKITGKKD
TGKDLPTLNAERLGIKGRPATHTETSILFHTQHLGAMLTQRHNETGWTGL
DEALNAGAWAVEFDYSGFNATGGGPGSVIPLYPINPMTNEIANEPVMVPG
LYNWDNIDVESVRQQGQQWKFESKEEASKIVKKATRLLGADLVGIAPYDE
RWTYSTWGRKIYKPCKMPNGRTKYLPWDLPKMLSGGGVEVFGHAKFEPDW
EKYAGFKPKSVIVFVLEEDYEAIRTSPSVISSATVGKSYSNMAEVAYKIA
VFLRKLGYYAAPCGNDTGISVPMAVQAGLGEAGRNGLLITQKFGPRHRIA
KVYTDLELAPDKPRKFGVREFCRLCKKCADACPAQAISHEKDPKVLQPED
CEVAENPYTEKWHLDSNRCGSFWAYNGSPCSNCVAVCSWNKVETWNHDVA
RIATQIPLLQDAARKFDEWFGYNGPVNPDERLESGYVQNMVKDFWNNPES
IKQ
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain8q4h Chain A Residue 603 [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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PDB8q4h Structure of a membrane-bound menaquinol:organohalide oxidoreductase
Resolution2.83 Å
Binding residue
(original residue number in PDB)		R382 N383 C420 C423 K425 C426 C485 W487
Binding residue
(residue number reindexed from 1)		R334 N335 C372 C375 K377 C378 C437 W439
Annotation score1
Enzymatic activity
Enzyme Commision number 1.21.99.5: tetrachloroethene reductive dehalogenase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:8q4h, PDBe:8q4h, PDBj:8q4h
PDBsum8q4h
PubMed37923808
UniProtQ8GJ31|PCEA2_DESHA Tetrachloroethene reductive dehalogenase (Gene Name=pceA)

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