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Literature summary 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

Inhibitors

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

Metals/Ions

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

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
1.13.11.27 4-hydroxyphenylpyruvate + O2 Rattus norvegicus
-
 homogentisate + CO2
-
 ?
1.13.11.27 4-hydroxyphenylpyruvate + O2 Arabidopsis thaliana
-
 homogentisate + CO2
-
 ?

Organism

EC Number Organism UniProt Comment Textmining
1.13.11.27 Arabidopsis thaliana P93836
-
-
1.13.11.27 Rattus norvegicus P32755
-
-

Reaction

EC Number Reaction Comment Organism Reaction ID
1.13.11.27 4-hydroxyphenylpyruvate + O2 = homogentisate + CO2 reaction mechanism, quantum and molecular mechanics (QM/MM) combined with coupling techniques and molecular dynamics, overview Rattus norvegicus
a
1.13.11.27 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)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
1.13.11.27 4-hydroxyphenylpyruvate + O2
-
 Rattus norvegicus homogentisate + CO2
-
 ?
1.13.11.27 4-hydroxyphenylpyruvate + O2
-
 Arabidopsis thaliana homogentisate + CO2
-
 ?

Synonyms

EC Number Synonyms Comment Organism
1.13.11.27 HPD
-
 Arabidopsis thaliana
1.13.11.27 HPPD
-
 Rattus norvegicus
1.13.11.27 HPPD
-
 Arabidopsis thaliana

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
1.13.11.27 0.000012
-
 pH and temperature not specified in the publication Arabidopsis thaliana DAS 645
1.13.11.27 0.00002
-
 below, pH and temperature not specified in the publication Rattus norvegicus DAS 645
1.13.11.27 0.000022
-
 pH and temperature not specified in the publication Arabidopsis thaliana sulcotrione
1.13.11.27 0.000027
-
 pH and temperature not specified in the publication Arabidopsis thaliana mesotrione
1.13.11.27 0.00004
-
 pH and temperature not specified in the publication Rattus norvegicus NTBC
1.13.11.27 0.00005
-
 pH and temperature not specified in the publication Arabidopsis thaliana NTBC

General Information

EC Number General Information Comment Organism
1.13.11.27 additional information enzyme molecular docking study using crystal structure PDB ID 1SQI Rattus norvegicus
1.13.11.27 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