Crystallization (Comment) | Organism |
---|---|
molecular docking, molecular dynamics simulation, and molecular mechanics/Poisson-Boltzmann surface area calculations for complexes with carboxamide inhibitors. The acid moiety of carboxamide fungicides inserts into the ubiquinone binding site of SQR, forming van der Waals interactions with subunit C residues R46, S42, and subunit B residues I218, and P169, while the amine moiety extends to the mouth of the Q-site, forming van der Waals interactions with subunit C residues W35, I43, and I30. The carbonyl oxygen atom of the carboxamide forms hydrogen bonds with subunit B W173 and subunit DY91 | Sus scrofa |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
benodanil | noncompetitive | Sus scrofa | |
boscalid | noncompetitive | Sus scrofa | |
carboxin | noncompetitive | Sus scrofa | |
fenfuram | noncompetitive | Sus scrofa | |
flutolanil | noncompetitive | Sus scrofa | |
furametpyr | noncompetitive | Sus scrofa | |
mepronil | noncompetitive | Sus scrofa | |
oxycarboxin | noncompetitive | Sus scrofa | |
penthiopyrad | noncompetitive | Sus scrofa | |
thifluzamide | noncompetitive | Sus scrofa |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Sus scrofa | - |
- |
- |
Purification (Comment) | Organism |
---|---|
- |
Sus scrofa |
Source Tissue | Comment | Organism | Textmining |
---|---|---|---|
heart | - |
Sus scrofa | - |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
succinate + 2,6-dichlorophenol indophenol | - |
Sus scrofa | fumarate + reduced 2,6-dichlorophenol indophenol | - |
? |
Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
---|---|---|---|---|---|
0.0002 | - |
thifluzamide | pH 7.4,23°C | Sus scrofa | |
0.0039 | - |
penthiopyrad | pH 7.4,23°C | Sus scrofa | |
0.0046 | - |
carboxin | pH 7.4,23°C | Sus scrofa | |
0.0092 | - |
boscalid | pH 7.4,23°C | Sus scrofa | |
0.0132 | - |
benodanil | pH 7.4,23°C | Sus scrofa | |
0.0289 | - |
flutolanil | pH 7.4,23°C | Sus scrofa | |
0.0293 | - |
furametpyr | pH 7.4,23°C | Sus scrofa | |
0.0318 | - |
mepronil | pH 7.4,23°C | Sus scrofa | |
0.081 | - |
oxycarboxin | pH 7.4,23°C | Sus scrofa | |
0.1084 | - |
fenfuram | pH 7.4,23°C | Sus scrofa |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.00017 | - |
pH 7.4,23°C | Sus scrofa | thifluzamide | |
0.00124 | - |
pH 7.4,23°C | Sus scrofa | penthiopyrad | |
0.0043 | - |
pH 7.4,23°C | Sus scrofa | carboxin | |
0.0083 | - |
pH 7.4,23°C | Sus scrofa | boscalid | |
0.0128 | - |
pH 7.4,23°C | Sus scrofa | benodanil | |
0.0273 | - |
pH 7.4,23°C | Sus scrofa | furametpyr | |
0.0289 | - |
pH 7.4,23°C | Sus scrofa | flutolanil | |
0.0304 | - |
pH 7.4,23°C | Sus scrofa | mepronil | |
0.0856 | - |
pH 7.4,23°C | Sus scrofa | oxycarboxin | |
0.1233 | - |
pH 7.4,23°C | Sus scrofa | fenfuram |