Crystal structure of yeast acetohydroxyacid synthase in complex with a sulfonylurea herbicide, tribenuron methyl

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 17% strand (DSSP).

Ligands and binding sites

• 1TB · Methyl 2-[4-methoxy-6-methyl-1,3,5-trazin-2-yl(methyl)carbamoylsulfamoyl]benzoate · ligand · 2 copies · chains A, B
• FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
• P23 · Propyl trihydrogen diphosphate · ligand · 2 copies · chains A, B
• YF3 · 2-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}propane-1-thiol · ligand · chains A, B
• YF4 · 5-{[ethyl(methyl)amino]methyl}-2-methyl-5,6-dihydropyrimidin-4-amine · ligand · chains A, B
• K · Potassium ion · metal · 2 copies · chains A, B
• MG · Magnesium ion · metal · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 3200 Ų buried · 36 hydrogen bonds · protein-protein

Compared structures

• 1T9A · Crystal structure of yeast acetohydroxyacid synthase in complex with a sulfonylurea… · the same entry in another collection · chain A against A, TM-score 1.00
• P07342 · AlphaFold monomer V2.0 prediction for acetolactate synthase catalytic subunit… · a predicted model of the same protein · chain B against A, TM-score 0.99

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt P07342
• Elsewhere: RCSB PDB 1T9A · PDBe 1T9A · UniProt P07342