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Literature summary for 1.13.11.27 extracted from

  • Silva, T.; Dos Santos Pires, M.; De Castro, A.; Da Cunha, E.; Caetano, M.; Ramalho, T.
    Molecular insight into the inhibition mechanism of plant and rat 4-hydroxyphenylpyruvate dioxygenase by molecular docking and DFT calculations (2015), Med. Chem. Res., 24, 3958-3971 .
No PubMed abstract available
Search for more literature for 1.13.11.27

Inhibitors

Inhibitors Comment Organism Structure
DAS 645 strong inhibition Arabidopsis thaliana
DAS 645 low inhibition Rattus norvegicus
DAS 869
-
 Arabidopsis thaliana
DAS 869 strong inhibition Rattus norvegicus
mesotrione mesotrione is an extremely potent competitive inhibitor of this enzyme Arabidopsis thaliana
mesotrione low inhibition Rattus norvegicus
additional information enzyme inhibition mechanisms and binding structures, molecular docking study, overview Arabidopsis thaliana
additional information enzyme inhibition mechanisms and binding structures, molecular docking study, overview Rattus norvegicus
NTBC tauromers Arabidopsis thaliana
NTBC tauromers, strong inhibition of the two tautomers Rattus norvegicus
sulcotrione strong inhibition Arabidopsis thaliana
sulcotrione low inhibition Rattus norvegicus

Metals/Ions

Metals/Ions Comment Organism Structure
Fe2+ required for catalysis, mechanism, overview Rattus norvegicus
Fe2+ required for catalysis, mechanism, overview Arabidopsis thaliana

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
4-hydroxyphenylpyruvate + O2 Rattus norvegicus
-
 homogentisate + CO2
-
 ?
4-hydroxyphenylpyruvate + O2 Arabidopsis thaliana
-
 homogentisate + CO2
-
 ?

Organism

Organism UniProt Comment Textmining
Arabidopsis thaliana P93836
-
-
Rattus norvegicus P32755
-
-

Reaction

Reaction Comment Organism Reaction ID
4-hydroxyphenylpyruvate + O2 = homogentisate + CO2 reaction mechanism, quantum and molecular mechanics (QM/MM) combined with coupling techniques and molecular dynamics, overview Rattus norvegicus
a
4-hydroxyphenylpyruvate + O2 = homogentisate + CO2 reaction mechanism, quantum and molecular mechanics (QM/MM) combined with coupling techniques and molecular dynamics, overview Arabidopsis thaliana
a

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
4-hydroxyphenylpyruvate + O2
-
 Rattus norvegicus homogentisate + CO2
-
 ?
4-hydroxyphenylpyruvate + O2
-
 Arabidopsis thaliana homogentisate + CO2
-
 ?

Synonyms

Synonyms Comment Organism
HPD
-
 Arabidopsis thaliana
HPPD
-
 Rattus norvegicus
HPPD
-
 Arabidopsis thaliana

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.000012
-
 pH and temperature not specified in the publication Arabidopsis thaliana DAS 645
0.00002
-
 below, pH and temperature not specified in the publication Rattus norvegicus DAS 645
0.000022
-
 pH and temperature not specified in the publication Arabidopsis thaliana sulcotrione
0.000027
-
 pH and temperature not specified in the publication Arabidopsis thaliana mesotrione
0.00004
-
 pH and temperature not specified in the publication Rattus norvegicus NTBC
0.00005
-
 pH and temperature not specified in the publication Arabidopsis thaliana NTBC

General Information

General Information Comment Organism
additional information enzyme molecular docking study using crystal structure PDB ID 1SQI Rattus norvegicus
additional information enzyme molecular docking study using crystal structure PDB ID 1TG5. Three amino acid residues compose the active site: Gln358, His205 and Phe398 Arabidopsis thaliana