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

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 16% strand (DSSP).

Ligands and binding sites

• 1CS · 1-(2-chlorophenylsulfonyl)-3-(4-methoxy-6-methyl-L,3,5-triazin-2-yl)urea · ligand · 2 copies · chains A, B
• FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
• NSP · 5-(aminomethyl)-2-methylpyrimidin-4-amine · ligand · chains A, B
• P22 · Ethyl dihydrogen diphosphate · ligand · chains A
• YF3 · 2-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}propane-1-thiol · ligand · chains A, B
• P25 · Pentyl trihydrogen diphosphate · ligand · chains 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

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

Interfaces

1 interface between chains.

• A–B · 3164 Ų buried · 38 hydrogen bonds · protein-protein

Compared structures

• 1T9B · 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 A against A, TM-score 1.00

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 1T9B · PDBe 1T9B · UniProt P07342