Structure of PDB 7ntm Chain A Binding Site BS02

Receptor Information
>7ntm Chain A (length=347) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIPETQKGVIFYESHGKLEYKDIPVPKPKANELLINVKYSGVCHTDLHAW
HGDWPLPVKLPLVGGHEGAGVVVGMGENVKGWKIGDYAGIKWLNGSCMAC
EYCELGNESNCPHADLSGYTHDGSFQQYATADAVQAAHIPQGTDLAQVAP
ILCAGITVYKALKSANLMAGHWVAISGAAGGLGSLAVQYAKAMGYRVLGI
DGGEGKEELFRSIGGEVFIDFTKEKDIVGAVLKATDGGAHGVINVSVSEA
AIEASTRYVRANGTTVLVGMPAGAKCCSDVFNQVVKSISIVGSYVGNRAD
TREALDFFARGLVKSPIKVVGLSTLPEIYEKMEKGQIVGRYVVDTSK
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain7ntm Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ntm Cryo-EM structure of S.cerevisiae native alcohol dehydrogenase 1 (ADH1) in its tetrameric apo state
Resolution2.86 Å
Binding residue
(original residue number in PDB)		C97 C111
Binding residue
(residue number reindexed from 1)		C97 C111
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.1: alcohol dehydrogenase.
1.1.1.54: allyl-alcohol dehydrogenase.
1.1.1.78: methylglyoxal reductase (NADH).
Gene Ontology
Molecular Function
GO:0004022 alcohol dehydrogenase (NAD+) activity
GO:0004552 octanol dehydrogenase (NAD+) activity
GO:0005515 protein binding
GO:0008270 zinc ion binding
GO:0016491 oxidoreductase activity
GO:0019170 methylglyoxal reductase (NADH) activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0047655 allyl-alcohol dehydrogenase activity
GO:1904408 melatonin binding
GO:1990362 butanol dehydrogenase (NAD+) activity
Biological Process
GO:0000947 amino acid catabolic process to alcohol via Ehrlich pathway
GO:0006116 NADH oxidation
GO:0019655 glycolytic fermentation to ethanol
Cellular Component
GO:0005737 cytoplasm
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7ntm, PDBe:7ntm, PDBj:7ntm
PDBsum7ntm
PubMed
UniProtP00330|ADH1_YEAST Alcohol dehydrogenase 1 (Gene Name=ADH1)

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