Structure of PDB 8h5a Chain I Binding Site BS01

Receptor Information
>8h5a Chain I (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 I 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)		E104 L106 L134 K231
Binding residue
(residue number reindexed from 1)		E8 L10 L38 K135
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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