Structure of PDB 5e20 Chain A Binding Site BS01

Receptor Information
>5e20 Chain A (length=169) Species: 255470 (Dehalococcoides mccartyi CBDB1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LEVLFQGPNEFETLELEHLLWVNITQVKHSIERAWTRELKSLNLSTEKFA
ILHELMCLGGESTPHTLARRIVFEPHSVSAIVSRMEKDGLIIKTKDLDKK
HMVRIKLSEKAIDTFYQALEISNRVYKQMMASITREEKVELSKTLTKLRN
HTLPLTHKHTKTLTPFKYI
Ligand information
Ligand ID5JF
InChIInChI=1S/C6H4Cl2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
InChIKeyUMPSXRYVXUPCOS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01Clc1c(Cl)cccc1O
CACTVS 3.385Oc1cccc(Cl)c1Cl
OpenEye OEToolkits 1.9.2c1cc(c(c(c1)Cl)Cl)O
FormulaC6 H4 Cl2 O
Name2,3-dichlorophenol
ChEMBLCHEMBL16656
DrugBank
ZINCZINC000000388511
PDB chain5e20 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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PDB5e20 Crystal structures of RdhRCbdbA1625 provide insight into sensing of chloroaromatic compounds by MarR-type regulators
Resolution1.97 Å
Binding residue
(original residue number in PDB)		A43 E47
Binding residue
(residue number reindexed from 1)		A50 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:5e20, PDBe:5e20, PDBj:5e20
PDBsum5e20
PubMed
UniProtA0A1I9GEQ5

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