Crystal structure of human SPERMINE,SPERMIDINE acetyltransferase in complex with a bisubstrate analog (N1-acetylspermine-S-CoA).

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 29% strand (DSSP).

Ligands and binding sites

• NHQ · (3R)-27-amino-3-hydroxy-2,2-dimethyl-4,8,14-trioxo-12-thia-5,9,15,19,24-pentaazaheptacos-1-yl [(2S,3R,4S,5S)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate · ligand · 2 copies · chains A, B

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 3810 Ų buried · 47 hydrogen bonds · protein-protein

Compared structures

• 2JEV · Crystal structure of human spermine,spermidine acetyltransferase in complex with a… · the same entry in another collection · chain A against A, TM-score 1.00
• P21673 · AlphaFold monomer V2.0 prediction for diamine acetyltransferase 1 (P21673) · 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 P21673
• Elsewhere: RCSB PDB 2JEV · PDBe 2JEV · UniProt P21673