Structure of PDB 3zod Chain A Binding Site BS02

Receptor Information
>3zod Chain A (length=180) Species: 53953 (Pyrococcus horikoshii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HENLYFQGMEGYRLLYPMRTYLIVSGHGEETNVMAADWVTVVSFDPFIVG
VAVAPKRTTHKLIKKYGEFVISVPSLDVLRDVWIAGTKKGPSKLKEMSVT
LIPSKKVKVPSIEEALANIECRVIDARSYGDHTFFVGEVVGYTYKDYAFE
KGKPNLKAKFLAHVSWSEFVTFSEKVHKAE
Ligand information
Ligand IDHQE
InChIInChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
InChIKeyQIGBRXMKCJKVMJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.370		Oc1ccc(O)cc1
OpenEye OEToolkits 1.7.6c1cc(ccc1O)O
FormulaC6 H6 O2
Namebenzene-1,4-diol
ChEMBLCHEMBL537
DrugBankDB09526
ZINCZINC000005133378
PDB chain3zod 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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PDB3zod Identification of Promiscuous Ene-Reductase Activity by Mining Structural Databases Using Active Site Constellations.
Resolution1.68 Å
Binding residue
(original residue number in PDB)		W30 R49 H124
Binding residue
(residue number reindexed from 1)		W38 R57 H132
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

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Molecular Function
External links
PDB RCSB:3zod, PDBe:3zod, PDBj:3zod
PDBsum3zod
PubMed24954722
UniProtO58586|Y856_PYRHO Uncharacterized protein PH0856 (Gene Name=PH0856)

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