Inhibitors of the herbicidal target ispd

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 23% strand (DSSP).

Ligands and binding sites

• 6BC · 5-chloro-7-hydroxy-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile · ligand · chains A
• CU · Copper (II) ion · metal · 3 copies · chains A
• CD · Cadmium ion · metal · 3 copies · chains A
• MG · Magnesium ion · metal · chains A
• NA · Sodium ion · metal · chains A
• ZN · Zinc ion · metal · chains A
• ACT · Acetate ion · additive · 2 copies · chains A

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

Pockets

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

Compared structures

• 2YC5 · Inhibitors of the herbicidal target IspD · the same entry in another collection · chain A against A, TM-score 1.00
• P69834 · AlphaFold monomer V2.0 prediction for 2-C-methyl-D-erythritol 4-phosphate… · a predicted model of the same protein · chain A against A, TM-score 0.95

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 P69834
• Elsewhere: RCSB PDB 2YC5 · PDBe 2YC5 · UniProt P69834