Structure of PDB 3zoc Chain A Binding Site BS02

Receptor Information
>3zoc Chain A (length=176) Species: 53953 (Pyrococcus horikoshii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YFQGMEGYRLLYPMRTYLIVSGHGEETNVMAADWVTVVSFDPFIVGVAVA
PKRTTHKLIKKYGEFVISVPSLDVLRDVWIAGTKKGPSKLKEMSVTLIPS
KKVKVPSIEEALANIECRVIDARSYGDHTFFVGEVVGYTYKDYAFEKGKP
NLKAKFLAHVSWSEFVTFSEKVHKAE
Ligand information
Ligand IDHBA
InChIInChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
InChIKeyRGHHSNMVTDWUBI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C=O)O
CACTVS 3.341Oc1ccc(C=O)cc1
ACDLabs 10.04O=Cc1ccc(O)cc1
FormulaC7 H6 O2
NameP-HYDROXYBENZALDEHYDE
ChEMBLCHEMBL14193
DrugBankDB03560
ZINCZINC000000156709
PDB chain3zoc Chain A Residue 1173 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3zoc Identification of Promiscuous Ene-Reductase Activity by Mining Structural Databases Using Active Site Constellations.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D29 W30 R49 H124
Binding residue
(residue number reindexed from 1)		D33 W34 R53 H128
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

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Molecular Function
External links
PDB RCSB:3zoc, PDBe:3zoc, PDBj:3zoc
PDBsum3zoc
PubMed24954722
UniProtO58586|Y856_PYRHO Uncharacterized protein PH0856 (Gene Name=PH0856)

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