Crystal structure of arabidopsis thaliana acetohydroxyacid synthase P197T mutant in complex with chlorimuron-ethyl

Structure

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

Ligands and binding sites

• FAD · Flavin-adenine dinucleotide · ligand · chains A
• CIE · 2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl) amino]carbonyl]amino]sulfonyl]benzoic acid ethyl ester · 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 · 3 copies · chains A
• SO4 · Sulfate ion · ion · 2 copies · chains A
• NHE · 2-[N-cyclohexylamino]ethane sulfonic acid · additive · chains A

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

Pockets

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

Modifications

Observed in the structure: 1 modified (oxidation).

Compared structures

• 7U1D · Crystal structure of arabidopsis thaliana acetohydroxyacid synthase P197T mutant in… · 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 7U1D · PDBe 7U1D · UniProt P17597