Structure of PDB 5frz Chain A Binding Site BS02

Receptor Information
>5frz Chain A (length=194) Species: 67939 (Ralstonia sp. E2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DGLSNLARRLRFAMKEGSIWLGEQRMILLHTAALGALRKELVDTLGMERA
RGLFMRMGFHSGVRDAELAKTMRSGHSDFGMLEMGPCLHTIEGVVRVTPL
TVDINIAAGVYHGEFLWEDSFEGDVHRQMFGVAQAPVCWMQIGYATGYTS
ALMGKTILYRELECVGCGHPHCRILGKPLEQWEDGEAELALYQP
Ligand information
Ligand ID2MP
InChIInChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
InChIKeyYCOXTKKNXUZSKD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ccc(O)cc1C
OpenEye OEToolkits 1.5.0Cc1ccc(cc1C)O
ACDLabs 10.04Oc1cc(c(cc1)C)C
FormulaC8 H10 O
Name3,4-DIMETHYLPHENOL
ChEMBLCHEMBL192008
DrugBankDB04052
ZINCZINC000001576886
PDB chain5frz Chain A Residue 1209 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5frz Structural Analysis of the Phenol-Responsive Sensory Domain of the Transcription Activator Poxr
Resolution2.1 Å
Binding residue
(original residue number in PDB)		P99 H102 F128 W130 Y157 Y172
Binding residue
(residue number reindexed from 1)		P86 H89 F115 W117 Y144 Y159
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links