Structure of PDB 7ycd Chain B Binding Site BS01

Receptor Information
>7ycd Chain B (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 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 chain7ycd Chain B Residue 401 [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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PDB7ycd 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 Y44 F71 A79 W92 F94 Y107 K121
Binding residue
(residue number reindexed from 1)		R40 Y42 F69 A77 W90 F92 Y105 K119
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links