Literature summary for 1.1.1.B57 extracted from

Vitale, A.; Thorne, N.; Lovell, S.; Battaile, K.P.; Hu, X.; Shen, M.; D'Auria, S.; Auld, D.S.
Physicochemical characterization of a thermostable alcohol dehydrogenase from Pyrobaculum aerophilum (2013), PLoS One, 8, e63828.

Search for more literature for 1.1.1.B57

Application

Application	Comment	Organism
analysis	miniaturized assay for quantitative high-throughput screening, by monitoring NADPH oxidation as a decrease in A340 using a spectrophotometer	Pyrobaculum aerophilum

Crystallization (Commentary)

Crystallization (Comment)	Organism
crystal structure of both wild-type and cobalt-substituted enzyme at 1.75 A and 2.20 A resolution, respectively. One metal ion per monomer is present only at the structural site. The co-crystal structure of the NADPH-bound form of the enzyme at 2.35 A resolution shows close structural conservation with horse ADH, despite the lack of a catalytic Zn2+. Modeling of 1-tetralone into the NADPH-bound structure suggests an arginine as a possible catalytic residue	Pyrobaculum aerophilum

Crystallization (Comment)

Organism

crystal structure of both wild-type and cobalt-substituted enzyme at 1.75 A and 2.20 A resolution, respectively. One metal ion per monomer is present only at the structural site. The co-crystal structure of the NADPH-bound form of the enzyme at 2.35 A resolution shows close structural conservation with horse ADH, despite the lack of a catalytic Zn2+. Modeling of 1-tetralone into the NADPH-bound structure suggests an arginine as a possible catalytic residue

Pyrobaculum aerophilum

Inhibitors

Inhibitors	Comment	Organism
1-[2-(diphenylmethoxy)ethyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine	i.e. GBR12783	Pyrobaculum aerophilum
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine	-	Pyrobaculum aerophilum
1-[bis(4-fluorophenyl)methyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine	i.e. flunarizine	Pyrobaculum aerophilum

Organism

Organism	UniProt	Comment	Textmining
Pyrobaculum aerophilum	Q8ZUP0	-	-
Pyrobaculum aerophilum DSM 7523	Q8ZUP0	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
1-tetralone + NADPH + H+	-	Pyrobaculum aerophilum	1-tetralol + NADP+	-	?
1-tetralone + NADPH + H+	-	Pyrobaculum aerophilum DSM 7523	1-tetralol + NADP+	-	?

Synonyms

Synonyms	Comment	Organism
ADHII	-	Pyrobaculum aerophilum
PAE2687	-	Pyrobaculum aerophilum

Cofactor

Cofactor	Comment	Organism	Structure
NADPH	-	Pyrobaculum aerophilum

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor
0.01	-	pH 7.5, 37°C	Pyrobaculum aerophilum	1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine
0.04	-	pH 7.5, 37°C	Pyrobaculum aerophilum	1-[bis(4-fluorophenyl)methyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine
0.04	-	pH 7.5, 37°C	Pyrobaculum aerophilum	1-[2-(diphenylmethoxy)ethyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine