Structure of PDB 7ycf Chain D Binding Site BS02

Receptor Information
>7ycf Chain D (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 D Residue 202 [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)		C39 T40 T41 H159 A164 Y166
Binding residue
(residue number reindexed from 1)		C35 T36 T37 H155 A160 Y162
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links