Structure of human methionine aminopeptidase-2 complexed with spiroepoxytriazole inhibitor (+)-31A

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 25% strand (DSSP).

Ligands and binding sites

• 52T · (4R,7R)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1H-benzotriazol-4-yl propan-2-ylcarbamate · ligand · chains A
• CO · Cobalt (II) ion · metal · chains A
• CL · Chloride ion · ion · chains A
• DMS · Dimethyl sulfoxide · additive · 2 copies · chains A
• GOL · Glycerol · additive · 2 copies · chains A
• CIT · Citric acid · additive · chains A

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

Pockets

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

Modifications

Observed in the structure: 1 covalent, 1 disulfide (covalent ligand, disulfide).

Compared structures

• 5CLS · Structure of human methionine aminopeptidase-2 complexed with spiroepoxytriazole… · the same entry in another collection · chain A against A, TM-score 1.00
• P50579 · AlphaFold monomer V2.0 prediction for methionine aminopeptidase 2 (P50579) · 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 P50579
• Elsewhere: RCSB PDB 5CLS · PDBe 5CLS · UniProt P50579