Structure of PDB 8ea1 Chain A Binding Site BS01

Receptor Information
>8ea1 Chain A (length=317) Species: 3893 (Pueraria montana var. lobata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EIVKEVLPLIRVYKDGTVERLLSSPNVAASPEDPETGVSSKDIVIAHNPY
VSARIFLPNINKSHNKLPIFVYFHGGAFCVESAFSFFVHRYLNILASQAN
IIAVSVDFRLLPHHPLPAAYEDGWTTLQWIASHANNTATNPEPWLLNHAD
FNKLYVGGETSGANLAHNLLLRAGNGNQSLPGDLKILGGLLCCPFFWGSK
PIGSEPVDEHEQSLAMKVWNLACPDAPGGIDNPWINPCVAGAPSLATLGC
SKLLVTITGRDEFRDRDILYHDTVKKSGWEGQLELFDAGDEEHAFQLFKP
ETDTAKAMIKRLASFLV
Ligand information
Ligand IDNPO
InChIInChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
InChIKeyBTJIUGUIPKRLHP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Oc1ccc(cc1)[N+]([O-])=O
ACDLabs 10.04O=[N+]([O-])c1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1[N+](=O)[O-])O
FormulaC6 H5 N O3
NameP-NITROPHENOL
ChEMBLCHEMBL14130
DrugBankDB04417
ZINCZINC000034828682
PDB chain8ea1 Chain A Residue 3001 [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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PDB8ea1 The protein conformational basis of isoflavone biosynthesis.
Resolution2.29 Å
Binding residue
(original residue number in PDB)		G84 A85 T168 S169 F271
Binding residue
(residue number reindexed from 1)		G76 A77 T160 S161 F263
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.1.105: 2-hydroxyisoflavanone dehydratase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0016829 lyase activity
GO:0052689 carboxylic ester hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:8ea1, PDBe:8ea1, PDBj:8ea1
PDBsum8ea1
PubMed36376429
UniProtE9M5G1

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