Literature summary for 1.13.11.27 extracted from

Liu, Y.; Zhao, L.; Ye, T.; Gao, S.; Li, J.; Ye, F.; Fu, Y.
Identification of key residues determining the binding specificity of human 4-hydroxyphenylpyruvate dioxygenase (2020), Eur. J. Pharm. Sci., 154, 105504 .

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Crystallization (Commentary)

Crystallization (Comment)	Organism
homology modeling of structure and docking of inhibitors. Each molecule consists of 9 alpha-helices and 2 twisted barrel-like beta-sheets, and the active site is located at the C-terminus	Homo sapiens

Protein Variants

Protein Variants	Comment	Organism
L224A	binding ability of the mutant to nitisinone is significantly weaker than that of wild-type	Homo sapiens
Y221A	binding ability of the mutant to nitisinone is significantly weaker than that of wild-type	Homo sapiens

Inhibitors

Inhibitors	Comment	Organism	Structure
mesotrione	binding free energy -12.26 kcal/mol	Homo sapiens
additional information	formation of hHPPD-inhibitor complexes is mainly driven by van der Waals energy. Residues Ser226, Asn241, Gln265, Phe336, Phe359 and Phe364 make great contributions to binding affinities	Homo sapiens
nitisinone	binding free energy -10.97 kcal/mol. Residues Tyr221 and Leu224 are involved in the interaction between nitisinone and HPPD	Homo sapiens
sulcotrione	binding free energy -8.07 kcal/mol	Homo sapiens
tembotrione	binding free energy -8.51 kcal/mol	Homo sapiens

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	P32754	-	-

Ki Value [mM]

Ki Value [mM]	Ki Value maximum [mM]	Inhibitor	Comment	Organism	Structure
0.00001	-	mesotrione	pH 7, 30°C	Homo sapiens
0.000046	-	nitisinone	pH 7, 30°C	Homo sapiens
0.0058	-	tembotrione	pH 7, 30°C	Homo sapiens
0.007	-	sulcotrione	pH 7, 30°C	Homo sapiens

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Release 2023.1 (January 2023)