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Literature summary extracted from

  • Zhu, X.L.; Xiong, L.; Li, H.; Song, X.Y.; Liu, J.J.; Yang, G.F.
    Computational and experimental insight into the molecular mechanism of carboxamide inhibitors of succinate-ubquinone oxidoreductase (2014), ChemMedChem, 9, 1512-1521 .
    View publication on PubMed

Crystallization (Commentary)

EC Number Crystallization (Comment) Organism
1.3.5.1 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

EC Number Inhibitors Comment Organism Structure
1.3.5.1 benodanil noncompetitive Sus scrofa
1.3.5.1 boscalid noncompetitive Sus scrofa
1.3.5.1 carboxin noncompetitive Sus scrofa
1.3.5.1 fenfuram noncompetitive Sus scrofa
1.3.5.1 flutolanil noncompetitive Sus scrofa
1.3.5.1 furametpyr noncompetitive Sus scrofa
1.3.5.1 mepronil noncompetitive Sus scrofa
1.3.5.1 oxycarboxin noncompetitive Sus scrofa
1.3.5.1 penthiopyrad noncompetitive Sus scrofa
1.3.5.1 thifluzamide noncompetitive Sus scrofa

Organism

EC Number Organism UniProt Comment Textmining
1.3.5.1 Sus scrofa
-
-
-

Purification (Commentary)

EC Number Purification (Comment) Organism
1.3.5.1
-
 Sus scrofa

Source Tissue

EC Number Source Tissue Comment Organism Textmining
1.3.5.1 heart
-
 Sus scrofa
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
1.3.5.1 succinate + 2,6-dichlorophenol indophenol
-
 Sus scrofa fumarate + reduced 2,6-dichlorophenol indophenol
-
 ?

Ki Value [mM]

EC Number Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
1.3.5.1 0.0002
-
 thifluzamide pH 7.4,23°C Sus scrofa
1.3.5.1 0.0039
-
 penthiopyrad pH 7.4,23°C Sus scrofa
1.3.5.1 0.0046
-
 carboxin pH 7.4,23°C Sus scrofa
1.3.5.1 0.0092
-
 boscalid pH 7.4,23°C Sus scrofa
1.3.5.1 0.0132
-
 benodanil pH 7.4,23°C Sus scrofa
1.3.5.1 0.0289
-
 flutolanil pH 7.4,23°C Sus scrofa
1.3.5.1 0.0293
-
 furametpyr pH 7.4,23°C Sus scrofa
1.3.5.1 0.0318
-
 mepronil pH 7.4,23°C Sus scrofa
1.3.5.1 0.081
-
 oxycarboxin pH 7.4,23°C Sus scrofa
1.3.5.1 0.1084
-
 fenfuram pH 7.4,23°C Sus scrofa

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
1.3.5.1 0.00017
-
 pH 7.4,23°C Sus scrofa thifluzamide
1.3.5.1 0.00124
-
 pH 7.4,23°C Sus scrofa penthiopyrad
1.3.5.1 0.0043
-
 pH 7.4,23°C Sus scrofa carboxin
1.3.5.1 0.0083
-
 pH 7.4,23°C Sus scrofa boscalid
1.3.5.1 0.0128
-
 pH 7.4,23°C Sus scrofa benodanil
1.3.5.1 0.0273
-
 pH 7.4,23°C Sus scrofa furametpyr
1.3.5.1 0.0289
-
 pH 7.4,23°C Sus scrofa flutolanil
1.3.5.1 0.0304
-
 pH 7.4,23°C Sus scrofa mepronil
1.3.5.1 0.0856
-
 pH 7.4,23°C Sus scrofa oxycarboxin
1.3.5.1 0.1233
-
 pH 7.4,23°C Sus scrofa fenfuram