Structure of PDB 7br1 Chain A Binding Site BS01

Receptor Information
>7br1 Chain A (length=164) Species: 690635 (Parafontaria laminata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLTCDKLPKVIPPGIDAFTSHNPFEFSYVLTDDLDCTARVYVQPVHGLTN
YSGTAFDIKGTHITINDFTIGADGLTAYLTNCDTGEKQVWHFQYVDLGDP
QGANYCAYSCNGPQIAEYKCTTNTGYISPKQLQAVKEARSVPNGDKIHLA
QVDCPPHLYCPLYY
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 chain7br1 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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PDB7br1 Hydroxynitrile lyase from Parafonteria laminate complexed with benzaldehyde prepared by cocrystallization
Resolution1.25 Å
Binding residue
(original residue number in PDB)		R58 F87 L98 W109 F111 K138
Binding residue
(residue number reindexed from 1)		R39 F68 L79 W90 F92 K119
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:7br1, PDBe:7br1, PDBj:7br1
PDBsum7br1
PubMed
UniProtA0A7I6N400

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