Structure of PDB 7br1 Chain A Binding Site BS02

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 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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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)		E44 N142 T143 G144
Binding residue
(residue number reindexed from 1)		E25 N123 T124 G125
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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