Crystal structure of acetylpolyamine amidohydrolase from mycoplana ramosa in complex with a trifluoromethylketone inhibitor

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 17% strand (DSSP).

Ligands and binding sites

• FKS · 7-[(3-aminopropyl)amino]-1,1,1-trifluoroheptane-2,2-diol · ligand · 2 copies · chains A, B
• ZN · Zinc ion · metal · 2 copies · chains A, B
• K · Potassium ion · metal · 2 copies · chains A, B
• NA · Sodium ion · metal · 2 copies · chains A, B
• NO3 · Nitrate ion · ion · 4 copies · chains A, B
• GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 2288 Ų buried · 38 hydrogen bonds · protein-protein

Compared structures

• 4ZUM · Crystal structure of acetylpolyamine amidohydrolase from Mycoplana ramosa in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
• Q48935 · AlphaFold monomer V2.0 prediction for acetylpolyamine amidohydrolase (Q48935) · a predicted model of the same protein · chain B 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 Q48935
• Elsewhere: RCSB PDB 4ZUM · PDBe 4ZUM · UniProt Q48935