Structure of PDB 5y02 Chain I Binding Site BS01

Receptor Information
>5y02 Chain I (length=105) Species: 78168 (Passiflora edulis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PPEIVRHIVFNRYKSQLSQKQIDQIIADYGNLQNIAPEMKEWKWGTDLGP
AVEDRADGFTHAYESTFHSVADFLNFFYSPPALEFAKEFFPACEKIVVLN
YIINE
Ligand information
Ligand IDHBX
InChIInChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
InChIKeyHUMNYLRZRPPJDN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		O=Cc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)C=O
FormulaC7 H6 O
Namebenzaldehyde
ChEMBLCHEMBL15972
DrugBank
ZINCZINC000000895145
PDB chain5y02 Chain I Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5y02 The crystal structure and catalytic mechanism of hydroxynitrile lyase from passion fruit, Passiflora edulis
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Y30 F86 F90 F91
Binding residue
(residue number reindexed from 1)		Y29 F85 F89 F90
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links