Acetolactate Synthase from Trichoderma harzianum with inhibitor harzianic acid

Structure

x-ray diffraction · resolution 2.54 · 2 distinct chains · 45% helix, 17% strand (DSSP).

Ligands and binding sites

• 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 · 2 copies · chains A, B
• FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
• J3L · (2S)-3-methyl-2-[[(2S,4R)-1-methyl-4-[(2E,4E)-octa-2,4-dienoyl]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]methyl]-2-oxidanyl-butanoic acid · ligand · chains A, B
• MG · Magnesium ion · metal · 2 copies · chains A, B
• SO4 · Sulfate ion · ion · chains A
• PO4 · Phosphate ion · ion · chains A
• EDO · 1,2-ethanediol · additive · 5 copies · chains A, B
• PEG · Di(hydroxyethyl)ether · additive · chains A

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 3218 Ų buried · 44 hydrogen bonds · protein-protein

Compared structures

• 7EGV · Acetolactate synthase from trichoderma harzianum with inhibitor harzianic acid · the same entry in another collection · 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 A0A2N1LPC4
• Elsewhere: RCSB PDB 7EGV · PDBe 7EGV · UniProt A0A2N1LPC4