Structure of PDB 5m8u Chain A Binding Site BS05

Receptor Information
>5m8u Chain A (length=444) Species: 66821 (Sulfurospirillum multivorans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKEKNAAEIRQQFAMTAGSPIIVNDKLERYAEVRTAFTHPTSFFKPNYKG
EVKPWFLSAYDEKVRQIENGENGPKMKAKNVGEARAGRALEAAGWTLDIN
YGNIYPNRFFMLWSGETMTNTQLWAPVGLDRRPPDTTDPVELTNYVKFAA
RMAGADLVGVARLNRNWVYSEAVTIPADVPYEQSLHKEIEKPIVFKDVPL
PIETDDELIIPNTCENVIVAGIAMNREMMQTAPNSMACATTAFCYSRMCM
FDMWLCQFIRYMGYYAIPSCNGVGQSVAFAVEAGLGQASRMGACITPEFG
PNVRLTKVFTNMPLVPDKPIDFGVTEFCETCKKCARECPSKAITEGPRTF
EGRSIHNQSGKLQWQNDYNKCLGYWPESGGYCGVCVAVCPFTKGNIWIHD
GVEWLIDNTRFLNITEVWDGKINTYGLDADHFRDTVSFRKDRVK
Ligand information
Ligand IDBML
InChIInChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKeyGZFGOTFRPZRKDS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04Brc1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1O)Br
CACTVS 3.341Oc1ccc(Br)cc1
FormulaC6 H5 Br O
Name4-BROMOPHENOL
ChEMBLCHEMBL57284
DrugBank
ZINCZINC000000404316
PDB chain5m8u Chain A Residue 513 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5m8u Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		L124 P127
Binding residue
(residue number reindexed from 1)		L123 P126
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

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:5m8u, PDBe:5m8u, PDBj:5m8u
PDBsum5m8u
PubMed28671181
UniProtO68252|PCEA_SULMU Tetrachloroethene reductive dehalogenase (Gene Name=pceA)

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