Structure of PDB 3zog Chain A Binding Site BS02

Receptor Information
>3zog 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 IDA2Q
InChIInChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2
InChIKeyFWFSEYBSWVRWGL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2C1CC=CC(=O)C1
CACTVS 3.385O=C1CCCC=C1
ACDLabs 12.01O=C1C=CCCC1
FormulaC6 H8 O
Namecyclohex-2-en-1-one;
cyclohex-2-enone
ChEMBLCHEMBL1439332
DrugBank
ZINCZINC000100004096
PDB chain3zog Chain A Residue 200 [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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PDB3zog Identification of Promiscuous Ene-Reductase Activity by Mining Structural Databases Using Active Site Constellations.
Resolution1.75 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:3zog, PDBe:3zog, PDBj:3zog
PDBsum3zog
PubMed24954722
UniProtO58586|Y856_PYRHO Uncharacterized protein PH0856 (Gene Name=PH0856)

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