Structure of PDB 5e4b Chain A Binding Site BS01

Receptor Information
>5e4b Chain A (length=176) Species: 328207 (Davallia tyermanii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EQFQLRGVLWGKAYSWKITGTTIDKVWSIVGDYVRVDNWVSSVVKSSHVV
SGEANQTGCVRRFVCYPASEGESETVDYSELIHMNAAAHQYMYMIVGGNI
TGFSLMKNYVSNISLSSLPEEDGGGVIFYWSFTAEPASNLTEQKCIEIVF
PLYTTALKDLCTHLSIPESSVTLLDD
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 chain5e4b Chain A Residue 201 [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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PDB5e4b Enzyme discovery beyond homology: a unique hydroxynitrile lyase in the Bet v1 superfamily.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		F71 Y101 Y117 L160
Binding residue
(residue number reindexed from 1)		F63 Y93 Y109 L152
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:5e4b, PDBe:5e4b, PDBj:5e4b
PDBsum5e4b
PubMed28466867
UniProtA0A1C9V3S9

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