The crystal structure of E. COLI aminopeptidase N in complex with 7- amino-5,7,8,9-tetrahydrobenzocyclohepten-6-one

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 22% strand (DSSP).

Ligands and binding sites

• 7MK · [(7~{S})-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium · ligand · chains A
• NA · Sodium ion · metal · 8 copies · chains A
• ZN · Zinc ion · metal · chains A
• CL · Chloride ion · ion · 3 copies · chains A
• GOL · Glycerol · additive · 10 copies · chains A
• MLI · Malonate ion · additive · 4 copies · chains A
• DMS · Dimethyl sulfoxide · additive · 2 copies · chains A

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

Pockets

9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Compared structures

• 5MFR · The crystal structure of E. coli Aminopeptidase N in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
• P04825 · AlphaFold monomer V2.0 prediction for aminopeptidase N (P04825) · 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 P04825
• Elsewhere: RCSB PDB 5MFR · PDBe 5MFR · UniProt P04825