Structure of PDB 7ycb Chain C Binding Site BS01

Receptor Information
>7ycb 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 IDHBX
InChIInChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
InChIKeyHUMNYLRZRPPJDN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		O=Cc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)C=O
FormulaC7 H6 O
Namebenzaldehyde
ChEMBLCHEMBL15972
DrugBank
ZINCZINC000000895145
PDB chain7ycb 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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PDB7ycb 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)		R60 A76 F89 A97 L99 W110 F112 K139
Binding residue
(residue number reindexed from 1)		R38 A54 F67 A75 L77 W88 F90 K117
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links