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Literature summary extracted from

  • Tso, S.C.; Qi, X.; Gui, W.J.; Chuang, J.L.; Morlock, L.K.; Wallace, A.L.; Ahmed, K.; Laxman, S.; Campeau, P.M.; Lee, B.H.; Hutson, S.M.; Tu, B.P.; Williams, N.S.; Tambar, U.K.; Wynn, R.M.; Chuang, D.T.
    Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain alpha-ketoacid dehydrogenase kinase (2013), Proc. Natl. Acad. Sci. USA, 110, 9728-9733.
    View publication on PubMedView publication on EuropePMC

Activating Compound

EC Number Activating Compound Comment Organism Structure
1.2.4.4 (S)-2-chlorophenylpropionic acid
-
 Mus musculus

Crystallization (Commentary)

EC Number Crystallization (Comment) Organism
2.7.11.4 in complex with (S)-alpha-chloro-phenylpropionic acid, hanging drop vapor diffusion method, using 12% (w/v) PEG-8000, 0.1 M Tris·HCl, pH 8.5, 1.3-1.5 M NaCl Mus musculus

Inhibitors

EC Number Inhibitors Comment Organism Structure
1.2.4.4 (S)-2-chloro-phenylpropionic acid
-
 Mus musculus
2.7.11.4 (2R)-2-chloro-3-phenylpropanoic acid
-
 Mus musculus
2.7.11.4 (2S)-2-chloro-3-phenylpropanoic acid
-
 Mus musculus
2.7.11.4 (R)-alpha-chloroisocaproate
-
 Mus musculus
2.7.11.4 (S)-alpha-chloroisocaproate
-
 Mus musculus
2.7.11.4 2-oxoisocaproate
-
 Mus musculus
2.7.11.4 Clofibric acid
-
 Mus musculus
2.7.11.4 Hydrocinnamic acid
-
 Mus musculus
2.7.11.4 methylhydrocinnamic acid
-
 Mus musculus
2.7.11.4 phenylacetate
-
 Mus musculus
2.7.11.4 phenylbutyrate
-
 Mus musculus
2.7.11.4 phenylpyruvic acid
-
 Mus musculus

Localization

EC Number Localization Comment Organism GeneOntology No. Textmining
2.7.11.4 mitochondrion
-
 Mus musculus 5739
-

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
1.2.4.4 2-oxoisocaproate + NAD+ + CoA Mus musculus
-
 3-methylbutanoyl-CoA + CO2 + NADH + H+
-
 ?
2.7.11.4 ATP + [3-methyl-2-oxobutanoate dehydrogenase (acetyl-transferring)] Mus musculus
-
 ADP + [3-methyl-2-oxobutanoate dehydrogenase (acetyl-transferring)] phosphate
-
 ?

Organism

EC Number Organism UniProt Comment Textmining
1.2.4.4 Mus musculus
-
-
-
2.7.11.4 Mus musculus O55028
-
-

Source Tissue

EC Number Source Tissue Comment Organism Textmining
1.2.4.4 muscle
-
 Mus musculus
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
1.2.4.4 2-oxoisocaproate + NAD+ + CoA
-
 Mus musculus 3-methylbutanoyl-CoA + CO2 + NADH + H+
-
 ?
2.7.11.4 ATP + [3-methyl-2-oxobutanoate dehydrogenase (acetyl-transferring)]
-
 Mus musculus ADP + [3-methyl-2-oxobutanoate dehydrogenase (acetyl-transferring)] phosphate
-
 ?

Synonyms

EC Number Synonyms Comment Organism
1.2.4.4 BCKDC
-
 Mus musculus
1.2.4.4 branched-chain alpha-ketoacid dehydrogenase
-
 Mus musculus
2.7.11.4 BCKD kinase
-
 Mus musculus
2.7.11.4 BDK
-
 Mus musculus
2.7.11.4 branched-chain alpha-ketoacid dehydrogenase kinase
-
 Mus musculus

Cofactor

EC Number Cofactor Comment Organism Structure
1.2.4.4 NAD+
-
 Mus musculus

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
2.7.11.4 0.0063
-
 at pH 7.5 and 25°C Mus musculus (2S)-2-chloro-3-phenylpropanoic acid
2.7.11.4 0.012
-
 at pH 7.5 and 25°C Mus musculus (R)-alpha-chloroisocaproate
2.7.11.4 0.0214
-
 at pH 7.5 and 25°C Mus musculus (2R)-2-chloro-3-phenylpropanoic acid
2.7.11.4 0.0338
-
 at pH 7.5 and 25°C Mus musculus methylhydrocinnamic acid
2.7.11.4 0.0431
-
 at pH 7.5 and 25°C Mus musculus Hydrocinnamic acid
2.7.11.4 0.0531
-
 at pH 7.5 and 25°C Mus musculus phenylbutyrate
2.7.11.4 0.0534
-
 at pH 7.5 and 25°C Mus musculus (S)-alpha-chloroisocaproate
2.7.11.4 0.0749
-
 at pH 7.5 and 25°C Mus musculus 2-oxoisocaproate
2.7.11.4 0.346
-
 at pH 7.5 and 25°C Mus musculus phenylpyruvic acid
2.7.11.4 0.812
-
 at pH 7.5 and 25°C Mus musculus Clofibric acid
2.7.11.4 1.27
-
 at pH 7.5 and 25°C Mus musculus phenylacetate