D00481
type: Enzyme
cath: Quinone Oxidoreductase; Chain A, domain 1
cath: Rossmann fold
ec: https://purl.uniprot.org/enzyme/1.1.1.1
uniprot: Q9QYY9
kegg enzyme: alcohol dehydrogenase
kegg enzyme: aldehyde reductase
kegg enzyme: ADH
kegg enzyme: alcohol dehydrogenase (NAD)
kegg enzyme: aliphatic alcohol dehydrogenase
kegg enzyme: ethanol dehydrogenase
kegg enzyme: NAD-dependent alcohol dehydrogenase
kegg enzyme: NAD-specific aromatic alcohol dehydrogenase
kegg enzyme: NADH-alcohol dehydrogenase
kegg enzyme: NADH-aldehyde dehydrogenase
kegg enzyme: primary alcohol dehydrogenase
kegg enzyme: yeast alcohol dehydrogenase
kegg pathway: Glycolysis / Gluconeogenesis
kegg pathway: Fatty acid metabolism
kegg pathway: Bile acid biosynthesis
kegg pathway: Glycine, serine and threonine metabolism
kegg pathway: Tyrosine metabolism
kegg pathway: 1- and 2-Methylnaphthalene degradation
kegg pathway: 3-Chloroacrylic acid degradation
kegg pathway: Retinol metabolism
kegg pathway: Metabolism of xenobiotics by cytochrome P450
kegg pathway: Drug metabolism - cytochrome P450
kegg cofactor: Zinc
kegg substrate: NAD+
kegg substrate: Alcohol
kegg product: Aldehyde
kegg product: Ketone
kegg product: NADH
kegg product: H+
pdb: 1e3eA01
pdb: 1e3eB01
pdb: 1e3iA01
pdb: 1e3iB01
pdb: 1e3lA01
pdb: 1e3lB01
pdb: 1e3eA02
pdb: 1e3eB02
pdb: 1e3iA02
pdb: 1e3iB02
pdb: 1e3lA02
pdb: 1e3lB02
pdb bound state: Unbound
  compound: NAD+
  pdb: 1e3eA01
pdb bound state: Unbound
  compound: NAD+
  pdb: 1e3eB01
pdb bound state: Unbound
  compound: NAD+
  pdb: 1e3iA01
pdb bound state: Unbound
  compound: NAD+
  pdb: 1e3iB01
pdb bound state: Unbound
  compound: NAD+
  pdb: 1e3lA01
pdb bound state: Unbound
  compound: NAD+
  pdb: 1e3lB01
pdb bound state: Unbound
  compound: NAD+
  pdb: 1e3eA02
pdb bound state: Unbound
  compound: NAD+
  pdb: 1e3eB02
pdb bound state: Unbound
  compound: NAD+
  pdb: 1e3iA02
pdb bound state: Unbound
  compound: NAD+
  pdb: 1e3iB02
pdb bound state: Unbound
  compound: NAD+
  pdb: 1e3lA02
pdb bound state: Unbound
  compound: NAD+
  pdb: 1e3lB02
pdb bound state: Unbound
  compound: Alcohol
  pdb: 1e3eA01
pdb bound state: Unbound
  compound: Alcohol
  pdb: 1e3eB01
pdb bound state: Unbound
  compound: Alcohol
  pdb: 1e3iA01
pdb bound state: Unbound
  compound: Alcohol
  pdb: 1e3iB01
pdb bound state: Unbound
  compound: Alcohol
  pdb: 1e3lA01
active site residues resources: P40394
active site residues resources: P00325
active site residues resources: P00327
active site residues resources: P00326
active site residues resources: P00328
references: The alcohol dehydrogenase system.
references: The vertebrate alcohol dehydrogenase system: variable class II type form elucidates separate stages of enzymogenesis.
references: Three-dimensional structures of human alcohol dehydrogenase isoenzymes reveal the molecular basis for their functional diversity.
references: Alcohol dehydrogenase variability. Evolutionary and functional conclusions from characterization of further variants.
references: Inhibition of human alcohol dehydrogenases by formamides.
references: Bioinformatics in studies of SDR and MDR enzymes.
references: Crystal structures of mouse class II alcohol dehydrogenase reveal determinants of substrate specificity and catalytic efficiency.
references: Class II alcohol dehydrogenase (ADH2)--adding the structure.
references: Mammalian alcohol dehydrogenase - functional and structural implications.
references: Identification and characterisation of two allelic forms of human alcohol dehydrogenase 2.
references: Boundary conditions for the Swain-Schaad relationship as a criterion for hydrogen tunneling.
comment: This enzyme belongs to the zinc-containing alcohol dehydrogenase class II. According to the literature [7] & [8], this enzyme is inefficient, probably due to Pro47, whose mutation to His restores the activity.

Quinone Oxidoreductase; Chain A, domain 1
type: Cath
references: http://www.cathdb.info/version/latest/superfamily/3.90.180.10
catalytic domain: index.html

Rossmann fold
type: Cath
references: http://www.cathdb.info/version/latest/superfamily/3.40.50.720

Glycolysis / Gluconeogenesis
type: KeggPathway
references: KEGG:MAP00010

Fatty acid metabolism
type: KeggPathway
references: KEGG:MAP00071

Bile acid biosynthesis
type: KeggPathway
references: KEGG:MAP00120

Glycine, serine and threonine metabolism
type: KeggPathway
references: KEGG:MAP00260

Tyrosine metabolism
type: KeggPathway
references: KEGG:MAP00350

1- and 2-Methylnaphthalene degradation
type: KeggPathway
references: KEGG:MAP00624

3-Chloroacrylic acid degradation
type: KeggPathway
references: KEGG:MAP00641

Retinol metabolism
type: KeggPathway
references: KEGG:MAP00830

Metabolism of xenobiotics by cytochrome P450
type: KeggPathway
references: KEGG:MAP00980

Drug metabolism - cytochrome P450
type: KeggPathway
references: KEGG:MAP00982

Zinc
type: KeggCofactor
references: KEGG:C00038
compound type: heavy metal
references: CHEBI:29105
references: http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi

NAD+
type: KeggSubstrate
references: KEGG:C00003
compound type: amide group
compound type: amine group
compound type: nucleotide
references: CHEBI:15846
references: http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi

Alcohol
type: KeggSubstrate
references: KEGG:C00069
compound type: carbohydrate

Aldehyde
type: KeggProduct
references: KEGG:C00071
compound type: carbohydrate

Ketone
type: KeggProduct
references: KEGG:C00709
compound type: carbohydrate

NADH
type: KeggProduct
references: KEGG:C00004
compound type: amide group
compound type: amine group
compound type: nucleotide
references: CHEBI:16908
references: http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi

H+
type: KeggProduct
references: KEGG:C00080
compound type: others
references: CHEBI:15378
references: http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi

1e3eA01
type: Pdb
references: 1e3e
references: http://www.ebi.ac.uk/thornton-srv/databases/cgi-bin/pdbsum/GetPage.pl
references: PDB:1e3e
catalytic residue: THR 48
cofactor binding residue: CYS 46;HIS 67;CYS 178(Catalytic Zinc binding)

1e3eB01
type: Pdb
references: 1e3e
references: http://www.ebi.ac.uk/thornton-srv/databases/cgi-bin/pdbsum/GetPage.pl
references: PDB:1e3e
catalytic residue: THR 48
cofactor binding residue: CYS 46;HIS 67;CYS 178(Catalytic Zinc binding)

1e3iA01
type: Pdb
references: 1e3i
references: http://www.ebi.ac.uk/thornton-srv/databases/cgi-bin/pdbsum/GetPage.pl
references: PDB:1e3i
catalytic residue: THR 48
cofactor binding residue: CYS 46;HIS 67;CYS 178(Catalytic Zinc binding)

1e3iB01
type: Pdb
references: 1e3i
references: http://www.ebi.ac.uk/thornton-srv/databases/cgi-bin/pdbsum/GetPage.pl
references: PDB:1e3i
catalytic residue: THR 48
cofactor binding residue: CYS 46;HIS 67;CYS 178(Catalytic Zinc binding)

1e3lA01
type: Pdb
references: 1e3l
references: http://www.ebi.ac.uk/thornton-srv/databases/cgi-bin/pdbsum/GetPage.pl
references: PDB:1e3l
catalytic residue: THR 48
cofactor binding residue: CYS 46;HIS 67;CYS 178(Catalytic Zinc binding)
comment: mutant P47H

1e3lB01
type: Pdb
references: 1e3l
references: http://www.ebi.ac.uk/thornton-srv/databases/cgi-bin/pdbsum/GetPage.pl
references: PDB:1e3l
catalytic residue: THR 48
cofactor binding residue: CYS 46;HIS 67;CYS 178(Catalytic Zinc binding)
comment: mutant P47H

The alcohol dehydrogenase system.
type: BibliographicResource
references: http://www.ncbi.nlm.nih.gov/pubmed/7484389
journal: Adv Exp Med Biol
volume: 372
pages: 281-94
published year: 1995
authors:
  item: Jornvall H
  item: Danielsson O
  item: Hjelmqvist L
  item: Persson B
  item: Shafqat J

The vertebrate alcohol dehydrogenase system: variable class II type form elucidates separate stages of enzymogenesis.
type: BibliographicResource
references: http://www.ncbi.nlm.nih.gov/pubmed/7479907
journal: Proc Natl Acad Sci U S A
volume: 92
pages: 10904-8
published year: 1995
authors:
  item: Hjelmqvist L
  item: Estonius M
  item: Jornvall H

Three-dimensional structures of human alcohol dehydrogenase isoenzymes reveal the molecular basis for their functional diversity.
type: BibliographicResource
references: http://www.ncbi.nlm.nih.gov/pubmed/9059633
journal: Adv Exp Med Biol
volume: 414
pages: 291-302
published year: 1997
authors:
  item: Hurley TD
  item: Steinmetz CG
  item: Xie P
  item: Yang ZN

Alcohol dehydrogenase variability. Evolutionary and functional conclusions from characterization of further variants.
type: BibliographicResource
references: http://www.ncbi.nlm.nih.gov/pubmed/9059632
journal: Adv Exp Med Biol
volume: 414
pages: 281-9
published year: 1997
authors:
  item: Jornvall H
  item: Shafqat J
  item: el-Ahmad M
  item: Hjelmqvist L
  item: Persson B
  item: Danielsson O

Inhibition of human alcohol dehydrogenases by formamides.
type: BibliographicResource
references: http://www.ncbi.nlm.nih.gov/pubmed/9572895
journal: J Med Chem
volume: 41
pages: 1696-701
published year: 1998
authors:
  item: Schindler JF
  item: Berst KB
  item: Plapp BV

Bioinformatics in studies of SDR and MDR enzymes.
type: BibliographicResource
references: http://www.ncbi.nlm.nih.gov/pubmed/10352708
journal: Adv Exp Med Biol
volume: 463
pages: 373-7
published year: 1999
authors:
  item: Persson B
  item: Nordling E
  item: Kallberg Y
  item: Lundh D
  item: Oppermann UC
  item: Marschall HU
  item: Jornvall H

Crystal structures of mouse class II alcohol dehydrogenase reveal determinants of substrate specificity and catalytic efficiency.
type: BibliographicResource
comment: X-ray crystallography
references: http://www.ncbi.nlm.nih.gov/pubmed/10970744
journal: J Mol Biol
volume: 302
pages: 441-53
published year: 2000
authors:
  item: Svensson S
  item: Hoog JO
  item: Schneider G
  item: Sandalova T
references: http://www.ebi.ac.uk/thornton-srv/databases/cgi-bin/pdbsum/GetPage.pl

Class II alcohol dehydrogenase (ADH2)--adding the structure.
type: BibliographicResource
references: http://www.ncbi.nlm.nih.gov/pubmed/11306056
journal: Chem Biol Interact
volume: 130-132
pages: 339-50
published year: 2001
authors:
  item: Svensson S
  item: Stromberg P
  item: Sandalova T
  item: Hoog J

Mammalian alcohol dehydrogenase - functional and structural implications.
type: BibliographicResource
references: http://www.ncbi.nlm.nih.gov/pubmed/11173978
journal: J Biomed Sci
volume: 8
pages: 71-6
published year: 2001
authors:
  item: Hoog JO
  item: Hedberg JJ
  item: Stromberg P
  item: Svensson S

Identification and characterisation of two allelic forms of human alcohol dehydrogenase 2.
type: BibliographicResource
references: http://www.ncbi.nlm.nih.gov/pubmed/11964133
journal: Cell Mol Life Sci
volume: 59
pages: 552-9
published year: 2002
authors:
  item: Stromberg P
  item: Svensson S
  item: Hedberg JJ
  item: Nordling E
  item: Hoog JO

Boundary conditions for the Swain-Schaad relationship as a criterion for hydrogen tunneling.
type: BibliographicResource
references: http://www.ncbi.nlm.nih.gov/pubmed/11942822
journal: J Am Chem Soc
volume: 124
pages: 3858-64
published year: 2002
authors:
  item: Kohen A
  item: Jensen JH

Analogue
compound: Aldehyde
pdb: 1e3iA01
ligand het code: CXF

Analogue
compound: Aldehyde
pdb: 1e3iB01
ligand het code: CXF

ReferenceForCatalyticMechanism
reference index: 7
reference section: p.450-451

ReferenceForCatalyticMechanism
reference index: 8
reference section: p.346-348

ReferenceForCatalyticMechanism
reference index: 11
reference section: Figure 3 p.3859