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Literature summary for 1.14.11.1 extracted from

  • Khan, A.; Lesniak, R.; Brem, J.; Rydzik, A.; Choi, H.; Leung, I.; McDonough, M.; Schofield, C.; Claridge, T.
    Development and application of ligand-based NMR screening assays for gamma-butyrobetaine hydroxylase (2016), MedChemComm, 7, 873-880 .
No PubMed abstract available
Search for more literature for 1.14.11.1

Activating Compound

Activating Compound Comment Organism Structure
L-ascorbate required Homo sapiens

Application

Application Comment Organism
drug development enzyme BBOX is a drug target for the treatment of myocardial infarction Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
additional information development and application of 1H NMR GBB/2OG reporter based assays employing paramagnetic relaxation enhancement to monitor inhibitor binding to the BBOX active site, method development and evaluation, overview. The method assesses inhibitors for competitive binding with 2-oxoglutarate or gamma-butyrobetaine, or both, and is exemplified with a set of isoquinoline-based inhibitors, structure-activity relationships. Docking simulation showing possible conformational changes as a result of binding inhibitors N-(1-chloro-4-hydroxyisoquinoline-3-carbonyl)glycine or N-(1-chloro-4-hydroxyisoquinoline-3-carbonyl)-L-tryptophan. NMR spectroscopic structures Homo sapiens
N-(1-chloro-4-hydroxyisoquinoline-3-carbonyl)-L-tryptophan
-
 Homo sapiens
N-(1-chloro-4-hydroxyisoquinoline-3-carbonyl)glycine
-
 Homo sapiens

Metals/Ions

Metals/Ions Comment Organism Structure
Fe2+ dependent on, required for catalysis, bound to the active site Homo sapiens

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
4-trimethylammoniobutanoate + 2-oxoglutarate + O2 Homo sapiens
-
 3-hydroxy-4-trimethylammoniobutanoate + succinate + CO2
-
 ?

Organism

Organism UniProt Comment Textmining
Homo sapiens O75936
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
4-trimethylammoniobutanoate + 2-oxoglutarate + O2
-
 Homo sapiens 3-hydroxy-4-trimethylammoniobutanoate + succinate + CO2
-
 ?

Synonyms

Synonyms Comment Organism
BBOX
-
 Homo sapiens
gamma-butyrobetaine hydroxylase
-
 Homo sapiens

pH Optimum

pH Optimum Minimum pH Optimum Maximum Comment Organism
7.5
-
 assay at Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0012
-
 pH 7.5, temperature not specified in the publication, recombinant enzyme Homo sapiens N-(1-chloro-4-hydroxyisoquinoline-3-carbonyl)glycine
0.026
-
 pH 7.5, temperature not specified in the publication, recombinant enzyme Homo sapiens N-(1-chloro-4-hydroxyisoquinoline-3-carbonyl)-L-tryptophan

General Information

General Information Comment Organism
evolution the enzyme belongs to the 2-oxoglutarate/Fe(II) dependent oxygenase family Homo sapiens
physiological function gamma-butyrobetaine hydroxylase (BBOX) is a 2-oxoglutarate-dependent oxygenase that catalyses the stereoselective C-3 hydroxylation of gamma-butyrobetaine to give L-carnitine. L-Carnitine is involved in fatty acid metabolism Homo sapiens