Structure of PDB 7bpo Chain A Binding Site BS01

Receptor Information
>7bpo Chain A (length=165) Species: 690633 (Parafontaria falcifera) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSLTCDKLPKVIPPGIDAFTSHNPFEFSYVLTDDLDCTARVYVQPVHGLT
NYSGTAFDIKGTHITINDFTIGADGLTAYLTNCDTGEKQVWHFQYVDLGD
PQGANYCAYSCNGPQIAEYKCTTNTGYISPKQLQAVKEARSVPNGDKIHL
AQVDCPPHLYCPLYY
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 chain7bpo Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7bpo Hydroxynitrile lyase from Parafonteria laminate complexed with benzaldehyde
Resolution1.37 Å
Binding residue
(original residue number in PDB)		R58 F87 A96 L98 W109 F111 K138
Binding residue
(residue number reindexed from 1)		R40 F69 A78 L80 W91 F93 K120
Annotation score1
External links