Structure of PDB 1mg5 Chain B Binding Site BS01

Receptor Information
>1mg5 Chain B (length=255) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SFTLTNKNVIFVAGLGGIGLDTSKELLKRDLKNLVILDRIENPAAIAELK
AINPKVTVTFYPYDVTVPIAETTKLLKTIFAQLKTVDVLINGAGILDDHQ
IERTIAVNYTGLVNTTTAILDFWDKRKGGPGGIICNIGSVTGFNAIYQVP
VYSGTKAAVVNFTSSLAKLAPITGVTAYTVNPGITRTTLVHKFNSWLDVE
PQVAEKLLAHPTQPSLACAENFVKAIELNQNGAIWKLDLGTLEAIQWTKH
WDSGI
Ligand information
Ligand IDACT
InChIInChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChIKeyQTBSBXVTEAMEQO-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04[O-]C(=O)C
OpenEye OEToolkits 1.5.0CC(=O)[O-]
CACTVS 3.341CC([O-])=O
FormulaC2 H3 O2
NameACETATE ION
ChEMBL
DrugBankDB14511
ZINC
PDB chain1mg5 Chain B Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1mg5 Drosophila alcohol dehydrogenase: acetate-enzyme interactions and novel insights into the effects of electrostatics on catalysis
Resolution1.63 Å
Binding residue
(original residue number in PDB)		S139 Y152
Binding residue
(residue number reindexed from 1)		S139 Y152
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N108 S139 Y152 K156
Catalytic site (residue number reindexed from 1) N108 S139 Y152 K156
Enzyme Commision number 1.1.1.1: alcohol dehydrogenase.
Gene Ontology
Molecular Function
GO:0004022 alcohol dehydrogenase (NAD+) activity
GO:0008774 acetaldehyde dehydrogenase (acetylating) activity
GO:0016491 oxidoreductase activity
GO:0042803 protein homodimerization activity
Biological Process
GO:0006066 alcohol metabolic process
GO:0006067 ethanol metabolic process
GO:0006117 acetaldehyde metabolic process
GO:0006734 NADH metabolic process
GO:0019431 acetyl-CoA biosynthetic process from ethanol
GO:0046164 alcohol catabolic process
GO:0048149 behavioral response to ethanol
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1mg5, PDBe:1mg5, PDBj:1mg5
PDBsum1mg5
PubMed15581900
UniProtP00334|ADH_DROME Alcohol dehydrogenase (Gene Name=Adh)

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