Structure of PDB 1b2l Chain A Binding Site BS03

Receptor Information
>1b2l Chain A (length=254) Species: 7225 (Scaptodrosophila lebanonensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDLTNKNVIFVAALGGIGLDTSRELVKRNLKNFVILDRVENPTALAELKA
INPKVNITFHTYDVTVPVAESKKLLKKIFDQLKTVDILINGAGILDDHQI
ERTIAINFTGLVNTTTAILDFWDKRKGGPGGIIANICSVTGFNAIHQVPV
YSASKAAVVSFTNSLAKLAPITGVTAYSINPGITRTPLVHTFNSWLDVEP
RVAELLLSHPTQTSEQCGQNFVKAIEANKNGAIWKLDLGTLEAIEWTKHW
DSHI
Ligand information
Ligand IDCYH
InChIInChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
InChIKeyJHIVVAPYMSGYDF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		O=C1CCCCC1
OpenEye OEToolkits 1.5.0C1CCC(=O)CC1
FormulaC6 H10 O
NameCYCLOHEXANONE
ChEMBLCHEMBL18850
DrugBankDB02060
ZINCZINC000004528575
PDB chain1b2l Chain A Residue 256 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1b2l The catalytic reaction and inhibition mechanism of Drosophila alcohol dehydrogenase: observation of an enzyme-bound NAD-ketone adduct at 1.4 A resolution by X-ray crystallography.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		I94 H190 F192
Binding residue
(residue number reindexed from 1)		I94 H190 F192
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N107 S138 Y151 K155
Catalytic site (residue number reindexed from 1) N107 S138 Y151 K155
Enzyme Commision number 1.1.1.1: alcohol dehydrogenase.
Gene Ontology
Molecular Function
GO:0004022 alcohol dehydrogenase (NAD+) activity
GO:0016491 oxidoreductase activity
GO:0042802 identical protein binding
Biological Process
GO:0006066 alcohol metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1b2l, PDBe:1b2l, PDBj:1b2l
PDBsum1b2l
PubMed10366509
UniProtP10807|ADH_DROLE Alcohol dehydrogenase (Gene Name=Adh)

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