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Literature summary for 1.3.3.4 extracted from

  • Hao, G.F.; Tan, Y.; Xu, W.F.; Cao, R.J.; Xi, Z.; Yang, G.F.
    Understanding resistance mechanism of protoporphyrinogen oxidase-inhibiting herbicides insights from computational mutation scanning and site-directed mutagenesis (2014), J. Agric. Food Chem., 62, 7209-7215 .
    View publication on PubMed

Protein Variants

Protein Variants Comment Organism
additional information computational mutation scanning of enzyme PPO Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
acifluorfen
-
Homo sapiens
chlorphthalim
-
Homo sapiens
fomesafen
-
Homo sapiens
additional information prediction of the resistance associated with target mutations in enzyme PPO and analysis of the resistance mechanisms of typical PPO-inhibiting herbicides by a computational protocol, computational mutation scanning (CMS), using the human enzyme structure for the modeling, interaction patterns, overview. Ab initio quantum mechanics calculations are performed for inhibitor optimization at the HF/6-31+G level to determine the electrostatic potential by using the restrained electrostatic potential (RESP) method according to the Merz-Singh-Kollman scheme Homo sapiens
oxadiazon
-
Homo sapiens
sulfentrazone
-
Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens P50336
-
-

Synonyms

Synonyms Comment Organism
PPO
-
Homo sapiens

Cofactor

Cofactor Comment Organism Structure
FAD ab initio quantum mechanics calculations are performed for FAD optimization at the HF/6-31+G level to determine the electrostatic potential by using the restrained electrostatic potential (RESP) method according to the Merz-Singh-Kollman scheme Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
additional information
-
IC50 values are determined by measuring hPPO activity over a range of inhibitor concentrations at a single substrate concentration. IC50 values are calculated by fitting data to a single binding site model, overview Homo sapiens additional information