Structure of PDB 7kcb Chain A Binding Site BS04
Receptor Information
>7kcb Chain A (length=347) Species:
4932
(Saccharomyces cerevisiae) [
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SIPETQKGVIFYESHGKLEYKDIPVPKPKANELLINVKYSGVCHTDLHAW
HGDWPLPVKLPLVGGHEGAGVVVGMGENVKGWKIGDYAGIKWLNGSCMAC
EYCELGNESNCPHADLSGYTHDGSFQQYATADAVQAAHIPQGTDLAQVAP
ILCAGITVYKALKSANLMAGHWVAISGAAGGLGSLAVQYAKAMGYRVLGI
DGGEGKEELFRSIGGEVFIDFTKEKDIVGAVLKATDGGAHGVINVSVSEA
AIEASTRYVRANGTTVLVGMPAGAKCCSDVFNQVVKSISIVGSYVGNRAD
TREALDFFARGLVKSPIKVVGLSTLPEIYEKMEKGQIVGRYVVDTSK
Ligand information
Ligand ID
ETF
InChI
InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2
InChIKey
RHQDFWAXVIIEBN-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
OCC(F)(F)F
ACDLabs 10.04
FC(F)(F)CO
OpenEye OEToolkits 1.5.0
C(C(F)(F)F)O
Formula
C2 H3 F3 O
Name
TRIFLUOROETHANOL
ChEMBL
CHEMBL116675
DrugBank
DB03226
ZINC
ZINC000003860799
PDB chain
7kcb Chain A Residue 404 [
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Receptor-Ligand Complex Structure
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PDB
7kcb
Cryo-Electron Microscopy Structures of Yeast Alcohol Dehydrogenase.
Resolution
2.77 Å
Binding residue
(original residue number in PDB)
T45 W54 H66 W92 C153 M270 Y294
Binding residue
(residue number reindexed from 1)
T45 W54 H66 W92 C153 M270 Y294
Annotation score
1
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
PDBsum
7kcb
PubMed
33620215
UniProt
P00330
|ADH1_YEAST Alcohol dehydrogenase 1 (Gene Name=ADH1)
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