Structure of PDB 5fs0 Chain A Binding Site BS01

Receptor Information
>5fs0 Chain A (length=196) Species: 67939 (Ralstonia sp. E2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RDGLSNLARRLRFAMKEGSIWLGEQRMILLHTAALGALRKELVDTLGMER
ARGLFMRMGFHSGVRDAELAKTMRSGHSDFGMLEMGPCLHTIEGVVRVTP
LTVDINIAAGVYHGEFLWEDSFEGDVHRQMFGVAQAPVCWMQIGYATGYT
SALMGKTILYRELECVGCGHPHCRILGKPLEQWEDGEAELALYQPD
Ligand information
Ligand ID5JC
InChIInChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
InChIKeyHFZWRUODUSTPEG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1ccc(Cl)cc1Cl
ACDLabs 12.01Clc1c(ccc(c1)Cl)O
OpenEye OEToolkits 1.7.6c1cc(c(cc1Cl)Cl)O
FormulaC6 H4 Cl2 O
Name2,4-dichlorophenol
ChEMBLCHEMBL1143
DrugBank
ZINCZINC000000388057
PDB chain5fs0 Chain A Residue 1209 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5fs0 Structural Analysis of the Phenol-Responsive Sensory Domain of the Transcription Activator Poxr
Resolution2.4 Å
Binding residue
(original residue number in PDB)		G98 P99 H102 V110 F128 W130 Y157
Binding residue
(residue number reindexed from 1)		G86 P87 H90 V98 F116 W118 Y145
Annotation score1
Binding affinityMOAD: Kd=0.6uM
Enzymatic activity
Enzyme Commision number ?
External links