Structure of PDB 5m2g Chain A Binding Site BS04

Receptor Information
>5m2g Chain A (length=445) Species: 66821 (Sulfurospirillum multivorans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEKEKNAAEIRQQFAMTAGSPIIVNDKLERYAEVRTAFTHPTSFFKPNYK
GEVKPWFLSAYDEKVRQIENGENGPKMKAKNVGEARAGRALEAAGWTLDI
NYGNIYPNRFFMLWSGETMTNTQLWAPVGLDRRPPDTTDPVELTNYVKFA
ARMAGADLVGVARLNRNWVYSEAVTIPADVPYEQSLHKEIEKPIVFKDVP
LPIETDDELIIPNTCENVIVAGIAMNREMMQTAPNSMACATTAFCYSRMC
MFDMWLCQFIRYMGYYAIPSCNGVGQSVAFAVEAGLGQASRMGACITPEF
GPNVRLTKVFTNMPLVPDKPIDFGVTEFCETCKKCARECPSKAITEGPRT
FEGRSIHNQSGKLQWQNDYNKCLGYWPESGGYCGVCVAVCPFTKGNIWIH
DGVEWLIDNTRFLNITEVWDGKINTYGLDADHFRDTVSFRKDRVK
Ligand information
Ligand IDTBP
InChIInChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKeyBSWWXRFVMJHFBN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Oc1c(Br)cc(Br)cc1Br
OpenEye OEToolkits 1.5.0c1c(cc(c(c1Br)O)Br)Br
ACDLabs 10.04Brc1cc(Br)cc(Br)c1O
FormulaC6 H3 Br3 O
Name2,4,6-TRIBROMOPHENOL
ChEMBLCHEMBL220087
DrugBankDB02417
ZINCZINC000000388234
PDB chain5m2g Chain A Residue 510 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5m2g Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		F38 W56 W96 Y102 Y246 W376 Y382
Binding residue
(residue number reindexed from 1)		F38 W56 W96 Y102 Y246 W376 Y382
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:5m2g, PDBe:5m2g, PDBj:5m2g
PDBsum5m2g
PubMed28671181
UniProtO68252|PCEA_SULMU Tetrachloroethene reductive dehalogenase (Gene Name=pceA)

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