Crystal structure of human NAA50 in complex with accoa and an inhibitor (compound 4A) identified using DNA encoded library technology

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 36% strand (DSSP).

Ligands and binding sites

• ACO · Acetyl coenzyme *A · ligand · chains A
• U2J · (4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide · ligand · chains A

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.

Compared structures

• 6WFN · Crystal structure of human Naa50 in complex with AcCoA and an inhibitor (compound 4a)… · the same entry in another collection · chain A against A, TM-score 1.00
• Q9GZZ1 · AlphaFold monomer V2.0 prediction for N-alpha-acetyltransferase 50 (Q9GZZ1) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 Q9GZZ1
• Elsewhere: RCSB PDB 6WFN · PDBe 6WFN · UniProt Q9GZZ1