Structure of PDB 7yct Chain A Binding Site BS01

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 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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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)		P26 L27 Q28 N125 F163 A164
Binding residue
(residue number reindexed from 1)		P24 L25 Q26 N123 F161 A162
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links