Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylamino-carbonyl-triazolinone herbicide, propoxycarbazone-sodium

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 16% strand (DSSP).

Ligands and binding sites

• FAD · Flavin-adenine dinucleotide · ligand · chains A
• 6R4 · methyl 2-[(4-methyl-5-oxidanylidene-3-propoxy-1,2,4-triazol-1-yl)carbonylsulfamoyl]benzoate · ligand · chains A
• TZD · 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-2-oxo-2,3-dihydro-1,3-thiazol-5-yl}ethyl trihydrogen diphosphate · ligand · chains A
• MG · Magnesium ion · metal · chains A
• K · Potassium ion · metal · 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

• 5K6T · 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 5K6T · PDBe 5K6T · UniProt P17597