Literature summary for 1.13.11.27 extracted from

Schindler, C.E.M.; Hollenbach, E.; Mietzner, T.; Schleifer, K.J.; Zacharias, M.
Free energy calculations elucidate substrate binding, gating mechanism, and tolerance-promoting mutations in herbicide target 4-hydroxyphenylpyruvate dioxygenase (2019), Protein Sci., 28, 1048-1058 .

Search for more literature for 1.13.11.27

Crystallization (Commentary)

Crystallization (Comment)	Organism
a ligand-mediated conformational switch in helix H11 mediates rapid substrate access followed by active site closing and efficient product release through H11 opening. In mutant HPPD, large differences in H11 gating are found with correlation to experimentally measured herbicide tolerance	Zea mays
a ligand-mediated conformational switch in helix H11 mediates rapid substrate access followed by active site closing and efficient product release through H11 opening. In mutant HPPD, large differences in H11 gating are found with correlation to experimentally measured herbicide tolerance	Arabidopsis thaliana

Protein Variants

Protein Variants	Comment	Organism
M335H/P336A/E363Q	residues 336 and 363 are substituted by the corresponding residues of Zea mays HPPD, more than twofold increase in IC50 for sulcotrione and tembotrione. Increased herbicide tolerance compared to wild-type matches with a clear shift in the free energy profile toward favoring the closed helix H11 state	Zea mays
M335H/P336A/E363Q	residues 336 and 363 are substituted by the corresponding residues of Zea mays HPPD, more than twofold increase in IC50 for sulcotrione and tembotrione. Increased herbicide tolerance compared to wild-type matches with a clear shift in the free energy profile toward favoring the closed helix H11 state	Arabidopsis thaliana
M335H/P336A/P339T/T341D/E363Q/E426Q	substitutions correspond to residues found in Zea mays. The mutant has a clear preference for the closed H11 state	Zea mays
M335H/P336A/P339T/T341D/E363Q/E426Q	substitutions correspond to residues found in Zea mays. The mutant has a clear preference for the closed H11 state	Arabidopsis thaliana

Inhibitors

Inhibitors	Comment	Organism
bicyclopyrone	-	Arabidopsis thaliana
bicyclopyrone	-	Zea mays
isoxaflutole	-	Arabidopsis thaliana
isoxaflutole	-	Zea mays
mesotrione	-	Arabidopsis thaliana
mesotrione	-	Zea mays
sulcotrione	-	Arabidopsis thaliana
sulcotrione	-	Zea mays
tembotrione	-	Arabidopsis thaliana
tembotrione	-	Zea mays
topramezone	-	Arabidopsis thaliana
topramezone	-	Zea mays

KM Value [mM]

KM Value [mM]	KM Value Maximum [mM]	Substrate	Comment	Organism
0.077	-	4-hydroxyphenylpyruvate	wild-type, pH 7,20°C	Arabidopsis thaliana
0.098	-	4-hydroxyphenylpyruvate	mutant M335H/P336A/P339T/T341D/E363Q/E426Q, pH 7,20°C	Arabidopsis thaliana
0.134	-	4-hydroxyphenylpyruvate	mutant M335H/P336A/E363Q, pH 7,20°C	Arabidopsis thaliana
0.32	-	4-hydroxyphenylpyruvate	pH 7,20°C	Zea mays

Organism

Organism	UniProt	Comment	Textmining
Arabidopsis thaliana	P93836	-	-
Zea mays	-	-	-

Substrates and Products (Substrate)

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

Turnover Number [1/s]

Turnover Number Minimum [1/s]	Turnover Number Maximum [1/s]	Substrate	Comment	Organism
0.116	-	4-hydroxyphenylpyruvate	mutant M335H/P336A/P339T/T341D/E363Q/E426Q, pH 7,20°C	Arabidopsis thaliana
0.177	-	4-hydroxyphenylpyruvate	mutant M335H/P336A/E363Q, pH 7,20°C	Arabidopsis thaliana
0.183	-	4-hydroxyphenylpyruvate	wild-type, pH 7,20°C	Arabidopsis thaliana
0.51	-	4-hydroxyphenylpyruvate	pH 7,20°C	Zea mays

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor
0.0000013	-	wild-type, pH 7, 20°C	Arabidopsis thaliana	topramezone
0.0000013	-	wild-type, pH 7, 20°C	Arabidopsis thaliana	isoxaflutole
0.0000016	-	mutant M335H/P336A/E363Q, pH 7, 20°C	Arabidopsis thaliana	topramezone
0.0000017	-	wild-type, pH 7, 20°C	Arabidopsis thaliana	sulcotrione
0.0000018	-	wild-type, pH 7, 20°C	Arabidopsis thaliana	mesotrione
0.0000022	-	wild-type, pH 7, 20°C	Arabidopsis thaliana	tembotrione
0.0000025	-	mutant M335H/P336A/E363Q, pH 7, 20°C	Arabidopsis thaliana	isoxaflutole
0.0000027	-	mutant M335H/P336A/E363Q, pH 7, 20°C	Arabidopsis thaliana	mesotrione
0.000004	-	mutant M335H/P336A/E363Q, pH 7, 20°C	Arabidopsis thaliana	tembotrione
0.0000041	-	mutant M335H/P336A/E363Q, pH 7, 20°C	Arabidopsis thaliana	sulcotrione
0.0000051	-	wild-type, pH 7, 20°C	Arabidopsis thaliana	bicyclopyrone
0.0000061	-	mutant M335H/P336A/P339T/T341D/E363Q/E426Q, pH 7, 20°C	Arabidopsis thaliana	topramezone
0.0000068	-	mutant M335H/P336A/P339T/T341D/E363Q/E426Q, pH 7, 20°C	Arabidopsis thaliana	mesotrione
0.0000072	-	pH 7, 20°C	Zea mays	topramezone
0.0000075	-	mutant M335H/P336A/P339T/T341D/E363Q/E426Q, pH 7, 20°C	Arabidopsis thaliana	isoxaflutole
0.0000087	-	pH 7, 20°C	Zea mays	tembotrione
0.00001	-	mutant M335H/P336A/P339T/T341D/E363Q/E426Q, pH 7, 20°C	Arabidopsis thaliana	tembotrione
0.000012	-	mutant M335H/P336A/P339T/T341D/E363Q/E426Q, pH 7, 20°C	Arabidopsis thaliana	sulcotrione
0.000015	-	mutant M335H/P336A/E363Q, pH 7, 20°C	Arabidopsis thaliana	bicyclopyrone
0.000023	-	pH 7, 20°C	Zea mays	bicyclopyrone
0.000042	-	pH 7, 20°C	Zea mays	isoxaflutole
0.000043	-	mutant M335H/P336A/P339T/T341D/E363Q/E426Q, pH 7, 20°C	Arabidopsis thaliana	bicyclopyrone
0.000062	-	pH 7, 20°C	Zea mays	mesotrione
0.000094	-	pH 7, 20°C	Zea mays	sulcotrione