Crystal structure of candida albicans acetohydroxyacid synthase in complex with the herbicide chlorimuron ethyl

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 16% strand (DSSP).

Ligands and binding sites

• CIE · 2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl) amino]carbonyl]amino]sulfonyl]benzoic acid ethyl ester · ligand · chains A
• FAD · Flavin-adenine dinucleotide · 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
• G8G · (3Z)-4-{[(4-amino-2-methylpyrimidin-5-yl) methyl](formyl)amino}-3-sulfanylpent-3-en-1-yl trihydrogen diphosphate · ligand · chains A
• K · Potassium ion · metal · chains A
• MG · Magnesium ion · metal · chains A
• FMT · Formic acid · additive · chains A

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

Pockets

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

Compared structures

• 6DEL · Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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• Every structure of UniProt A0A1D8PJF9
• Elsewhere: RCSB PDB 6DEL · PDBe 6DEL · UniProt A0A1D8PJF9