Structure of PDB 5y02 Chain A Binding Site BS01

Receptor Information
>5y02 Chain A (length=104) Species: 78168 (Passiflora edulis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PEIVRHIVFNRYKSQLSQKQIDQIIADYGNLQNIAPEMKEWKWGTDLGPA
VEDRADGFTHAYESTFHSVADFLNFFYSPPALEFAKEFFPACEKIVVLNY
IINE
Ligand information
Ligand IDMXN
InChIInChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H/t8-/m0/s1
InChIKeyNNICRUQPODTGRU-QMMMGPOBSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[CH](C#N)c1ccccc1
CACTVS 3.341O[C@@H](C#N)c1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)C(C#N)O
ACDLabs 10.04N#CC(O)c1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)[C@H](C#N)O
FormulaC8 H7 N O
Name(2R)-hydroxy(phenyl)ethanenitrile;
(R)-mandelonitrile
ChEMBL
DrugBank
ZINCZINC000008100870
PDB chain5y02 Chain A Residue 201 [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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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)		H8 Y30 F77 F86 F91
Binding residue
(residue number reindexed from 1)		H6 Y28 F75 F84 F89
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links