Structure of PDB 7ycf Chain C Binding Site BS01

Receptor Information
>7ycf Chain C (length=162) Species: 291247 (Oxidus gracilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTCDKLPKVPVPPLEEFIKSNPLQFAYVLTDTFDCTTRVYVQPARLSPNQ
AATALDIRGSRIITNDFVGGPNNSAILNNCTTGEKATWYFQYTNLNTPNG
SSYCAYTCNGEEIAEYKCANNNNGTDPLQKQAVEVAKKVPNGDKIHYALD
NCPEHHGCFAFY
Ligand information
Ligand IDCNH
InChIInChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3
InChIKeyMWFMGBPGAXYFAR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(C)(O)C#N
OpenEye OEToolkits 1.5.0CC(C)(C#N)O
ACDLabs 10.04N#CC(O)(C)C
FormulaC4 H7 N O
Name2-HYDROXY-2-METHYLPROPANENITRILE;
ACETONE CYANOHYDRIN
ChEMBLCHEMBL1231861
DrugBankDB02203
ZINCZINC000008217842
PDB chain7ycf Chain C Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ycf 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 F94
Binding residue
(residue number reindexed from 1)		R38 F67 F90
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links