Structure of PDB 5e1x Chain A Binding Site BS01

Receptor Information
>5e1x Chain A (length=168) Species: 1193806 (Dehalococcoides mccartyi BTF08) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LEVLFQGPNEFETLELEHLLWVNITQVKHSIERAWTRELKSLNLSTEKFA
ILHELMCLGGESTPHTLARRIVFEPHSVSAIVSRMEKDGLIIKTKDLKKH
MVRIKLSEKAIDTFYQALEISNRVYKQMMASITREEKVELSKTLTKLRNH
TLPLTHKHTKTLTPFKYI
Ligand information
Ligand ID5JD
InChIInChI=1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
InChIKeyWDNBURPWRNALGP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1ccc(Cl)c(Cl)c1
ACDLabs 12.01c1c(Cl)c(Cl)ccc1O
OpenEye OEToolkits 1.9.2c1cc(c(cc1O)Cl)Cl
FormulaC6 H4 Cl2 O
Name3,4-dichlorophenol
ChEMBLCHEMBL1549385
DrugBank
ZINCZINC000000388513
PDB chain5e1x Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5e1x Crystal structures of RdhRCbdbA1625 provide insight into sensing of chloroaromatic compounds by MarR-type regulators
Resolution1.46 Å
Binding residue
(original residue number in PDB)		A43 H46 E47
Binding residue
(residue number reindexed from 1)		A50 H53 E54
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003700 DNA-binding transcription factor activity
Biological Process
GO:0006355 regulation of DNA-templated transcription

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Molecular Function
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Biological Process
External links
PDB RCSB:5e1x, PDBe:5e1x, PDBj:5e1x
PDBsum5e1x
PubMed
UniProtA0A1I9GEQ7

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