Structure of PDB 3wxb Chain A Binding Site BS02

Receptor Information
>3wxb Chain A (length=269) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSGLVPRGSHMGELRVRSVLVTGANRGIGLGFVQHLLALSNPPEWVFATC
RDPKGQRAQELQKLASKHPNLVIVPLEVTDPASIKAAAASVGERLKGSGL
NLLINNAGIARANTIDNETLKDMSEVYTTNTIAPLLLSQAFLPMLKKAAQ
ENPGSGLSCSKAAIINISSTAGSIQDLYLWQYGQALSYRCSKAALNMLTR
CQSMGYREHGIFCVALHPGWVKTDMGGTLEDKSRVTVDESVGGMLKVLSN
LSEKDSGAFLNWEGKVMAW
Ligand information
Ligand IDEDO
InChIInChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChIKeyLYCAIKOWRPUZTN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		OCCO
OpenEye OEToolkits 1.5.0C(CO)O
FormulaC2 H6 O2
Name1,2-ETHANEDIOL;
ETHYLENE GLYCOL
ChEMBLCHEMBL457299
DrugBank
ZINCZINC000005224354
PDB chain3wxb Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3wxb A novel NAD(P)H-dependent carbonyl reductase specifically expressed in the thyroidectomized chicken fatty liver: catalytic properties and crystal structure.
Resolution1.98 Å
Binding residue
(original residue number in PDB)		S159 Y178
Binding residue
(residue number reindexed from 1)		S169 Y188
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.184: carbonyl reductase (NADPH).
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:3wxb, PDBe:3wxb, PDBj:3wxb
PDBsum3wxb
PubMed26206323
UniProtF1N9C1

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