Structure of PDB 7kcb Chain B Binding Site BS01

Receptor Information
>7kcb Chain B (length=347) Species: 4932 (Saccharomyces cerevisiae) [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 chain7kcb Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7kcb Cryo-Electron Microscopy Structures of Yeast Alcohol Dehydrogenase.
Resolution2.77 Å
Binding residue
(original residue number in PDB)		C43 H66 C153
Binding residue
(residue number reindexed from 1)		C43 H66 C153
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:7kcb, PDBe:7kcb, PDBj:7kcb
PDBsum7kcb
PubMed33620215
UniProtP00330|ADH1_YEAST Alcohol dehydrogenase 1 (Gene Name=ADH1)

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