Crystal structure of human methionine aminopeptidase-2 in complex with an inhibitor 5,6-difluoro-3-(2-isopropoxy-4-piperazin-1-yl-phenyl)- 1H-indole-2-carboxylic acid amide

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 26% strand (DSSP).

Ligands and binding sites

• HZE · 5,6-bis(fluoranyl)-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide · ligand · chains A
• MN · Manganese (II) ion · metal · 2 copies · chains A
• EDO · 1,2-ethanediol · additive · 2 copies · chains A
• GOL · Glycerol · additive · chains A
• DMS · Dimethyl sulfoxide · 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, 1 with a druggability of 0.5 or more.

Compared structures

• 6QEI · CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR… · 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 6QEI · PDBe 6QEI · UniProt P50579