Crystal structure of Arabidopsis thaliana acetohydroxyacid synthase in complex with a triazolopyrimidine herbicide, penoxsulam

Structure

x-ray diffraction · resolution 2.522 · 1 distinct chain · 41% helix, 16% strand (DSSP).

Ligands and binding sites

• FAD · Flavin-adenine dinucleotide · ligand · chains A
• PXD · 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2, 4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl) benzenesulfonamide · ligand · chains A
• F50 · Ethaneperoxoic acid · ligand · chains A
• TP9 · (3Z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate · ligand · chains A
• MG · Magnesium ion · metal · chains A
• K · Potassium ion · metal · chains A

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

Pockets

5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Compared structures

• 5WJ1 · Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a… · the same entry in another collection · chain A against A, TM-score 1.00
• P17597 · AlphaFold monomer V2.0 prediction for acetolactate synthase, chloroplastic (P17597) · 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 P17597
• Elsewhere: RCSB PDB 5WJ1 · PDBe 5WJ1 · UniProt P17597