Structure of PDB 7yct Chain A Binding Site BS02

Receptor Information
>7yct Chain A (length=164) Species: 291247 (Oxidus gracilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPMTCDKLPKVPVPPLEEFIKSNPLQFAYVLTDTFDCTTRVYVQPARLSP
NQAATALDIRGSRIITNDFVGGPNNSAILNNCTTGEKATWYFQYTNLNTP
NGSSYCAYTCNGEEIAEYKCANNNNGTDPLQKQAVEVAKKVPNGDKIHYA
LDNCPEHHGCFAFY
Ligand information
Ligand IDIJ5
InChIInChI=1S/C8H6ClNO/c9-7-4-2-1-3-6(7)8(11)5-10/h1-4,8,11H/t8-/m0/s1
InChIKeyZECLJEYAWRQVIB-QMMMGPOBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(c(c1)C(C#N)O)Cl
CACTVS 3.385O[CH](C#N)c1ccccc1Cl
OpenEye OEToolkits 2.0.7c1ccc(c(c1)[C@H](C#N)O)Cl
CACTVS 3.385O[C@@H](C#N)c1ccccc1Cl
FormulaC8 H6 Cl N O
Name(2~{R})-2-(2-chlorophenyl)-2-oxidanyl-ethanenitrile;
(R)-2-chloromandelonitrile
ChEMBL
DrugBank
ZINC
PDB chain7yct Chain A Residue 202 [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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PDB7yct Structure-based site-directed mutagenesis of hydroxynitrile lyase from cyanogenic millipede, Oxidus gracilis for enhancing catalytic efficiency and enantioselectivity
Resolution2.01 Å
Binding residue
(original residue number in PDB)		R42 F71 A79 W92 F94 Y107 A109 K121
Binding residue
(residue number reindexed from 1)		R40 F69 A77 W90 F92 Y105 A107 K119
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links