Structure of PDB 5m8w Chain A Binding Site BS04

Receptor Information
>5m8w Chain A (length=443) Species: 66821 (Sulfurospirillum multivorans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KEKNAAEIRQQFAMTAGSPIIVNDKLERYAEVRTAFTHPTSFFKPNYKGE
VKPWFLSAYDEKVRQIENGENGPKMKAKNVGEARAGRALEAAGWTLDINY
GNIYPNRFFMLWSGETMTNTQLWAPVGLDRRPPDTTDPVELTNYVKFAAR
MAGADLVGVARLNRNWVYSEAVTIPADVPYEQSLHKEIEKPIVFKDVPLP
IETDDELIIPNTCENVIVAGIAMNREMMQTAPNSMACATTAFCYSRMCMF
DMWLCQFIRYMGYYAIPSCNGVGQSVAFAVEAGLGQASRMGACITPEFGP
NVRLTKVFTNMPLVPDKPIDFGVTEFCETCKKCARECPSKAITEGPRTFE
GRSIHNQSGKLQWQNDYNKCLGYWPESGGYCGVCVAVCPFTKGNIWIHDG
VEWLIDNTRFLNITEVWDGKINTYGLDADHFRDTVSFRKDRVK
Ligand information
Ligand ID4CH
InChIInChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKeyWXNZTHHGJRFXKQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1O)Cl
CACTVS 3.341Oc1ccc(Cl)cc1
ACDLabs 10.04Clc1ccc(O)cc1
FormulaC6 H5 Cl O
Name4-chlorophenol
ChEMBLCHEMBL57053
DrugBankDB13154
ZINCZINC000000001885
PDB chain5m8w Chain A Residue 512 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5m8w Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer.
Resolution2.279 Å
Binding residue
(original residue number in PDB)		F38 W96 Y102 Y246 W376 Y382
Binding residue
(residue number reindexed from 1)		F36 W94 Y100 Y244 W374 Y380
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:0005737 cytoplasm
GO:0005886 plasma membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:5m8w, PDBe:5m8w, PDBj:5m8w
PDBsum5m8w
PubMed28671181
UniProtO68252|PCEA_SULMU Tetrachloroethene reductive dehalogenase (Gene Name=pceA)

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