Structure of PDB 8h5a Chain C Binding Site BS01

Receptor Information
>8h5a Chain C (length=202) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
THLTIVTEALVPTPAFFPLIDKLAAKANTQLAIITEVLAGAWERLEQGRA
DIVIAPDMHFRSSSEINSRKLYTLMNVYVAAPDHPIHQEPEPLSEVTRVK
YRGIAVADTARERPVLTVQLLDKQPRLTVSTIEDKRQALLAGLGVATMPY
PMVEKDIAEGRLRVVSPESTSEIDIIMAWRRDSMGEAKSWCLREIPKLFN
GK
Ligand information
Ligand ID7DV
InChIInChI=1S/C7H8O2/c1-5-4-6(8)2-3-7(5)9/h2-4,8-9H,1H3
InChIKeyCNHDIAIOKMXOLK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1cc(O)ccc1O
OpenEye OEToolkits 2.0.6Cc1cc(ccc1O)O
FormulaC7 H8 O2
Name2-methylbenzene-1,4-diol
ChEMBLCHEMBL450917
DrugBank
ZINCZINC000000388086
PDB chain8h5a Chain C Residue 301 [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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PDB8h5a Structural basis of transcription factor YhaJ for DNT detection.
Resolution2.803 Å
Binding residue
(original residue number in PDB)		L134 V202 I228 K231 T243
Binding residue
(residue number reindexed from 1)		L38 V106 I132 K135 T147
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8h5a, PDBe:8h5a, PDBj:8h5a
PDBsum8h5a
PubMed37822509
UniProtP67660|YHAJ_ECOLI Probable HTH-type transcriptional regulator YhaJ (Gene Name=yhaJ)

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