Protein Variants | Comment | Organism |
---|---|---|
additional information | computational mutation scanning of enzyme PPO | Homo sapiens |
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 | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | P50336 | - |
- |
Synonyms | Comment | Organism |
---|---|---|
PPO | - |
Homo sapiens |
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 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 |