Arabidopsis thaliana ispd in complex with isoxazole (4)

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 24% strand (DSSP).

Ligands and binding sites

• Q9T · 2,4-bis(bromanyl)-6-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol · ligand · chains A
• CD · Cadmium ion · metal · 3 copies · chains A
• K · Potassium ion · metal · 2 copies · chains A
• TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
• ACT · Acetate ion · additive · 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

• 5MRM · Arabidopsis thaliana IspD in complex with Isoxazole (4) · 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 5MRM · PDBe 5MRM · UniProt P69834