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Literature summary for 1.2.4.1 extracted from

  • Arjunan, P.; Chandrasekhar, K.; Sax, M.; Brunskill, A.; Nemeria, N.; Jordan, F.; Furey, W.
    Structural determinants of enzyme binding affinity: the E1 component of pyruvate dehydrogenase from Escherichia coli in complex with the inhibitor thiamin thiazolone diphosphate (2004), Biochemistry, 43, 2405-2411.
    View publication on PubMed

Crystallization (Commentary)

Crystallization (Comment) Organism
purified enzyme E1 in complex with inhibitor thiamine thiazolone diphosphate and Mg2+, sitting drop vapour diffusion method, reservoir solution: 15-20% PEG 2000 monomethyl ether, 5-10% 2-propanol, 0.2% NaN3, 100 mM HEPES, pH 7.00, 22°C, 4 weeks, X-ray diffraction structure determination and analysis at 2.09 A resolution, comparison with structure determined with bound cofactor thiamine diphosphate Escherichia coli

Inhibitors

Inhibitors Comment Organism Structure
thiamine thiazolone diphosphate inhibits potently the E1 component of the pyruvate dehydrogenase multienzyme complex PDHc, competitive to cofactor thiamine diphosphate, binding structure and determinants, binding induced reorganisation of the active site conformation, mechanism, K392 is important, overview Escherichia coli

Metals/Ions

Metals/Ions Comment Organism Structure
Mg2+
-
Escherichia coli

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
pyruvate + CoA + NAD+ Escherichia coli enzyme E1 is a component of the pyruvate dehydrogenase multienzyme complex PDHc, and catalyzes the first step of the multistep process acetyl-CoA + CO2 + NADH
-
?

Organism

Organism UniProt Comment Textmining
Escherichia coli P0AFG8 enzyme E1 is a component of the pyruvate dehydrogenase multienzyme complex PDHc
-

Reaction

Reaction Comment Organism Reaction ID
pyruvate + [dihydrolipoyllysine-residue acetyltransferase] lipoyllysine = [dihydrolipoyllysine-residue acetyltransferase] S-acetyldihydrolipoyllysine + CO2 reaction mechanism, role of water molecules Escherichia coli

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
pyruvate + CoA + NAD+
-
Escherichia coli acetyl-CoA + CO2 + NADH
-
?
pyruvate + CoA + NAD+ enzyme E1 is a component of the pyruvate dehydrogenase multienzyme complex PDHc, and catalyzes the first step of the multistep process Escherichia coli acetyl-CoA + CO2 + NADH
-
?

Synonyms

Synonyms Comment Organism
PDHc E1
-
Escherichia coli

Cofactor

Cofactor Comment Organism Structure
NAD+
-
Escherichia coli
thiamine diphosphate dependent on, binding structure and determinants, V conformation, K392 is important Escherichia coli

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.003
-
thiamine thiazolone diphosphate
-
Escherichia coli