Crystal structure of paia N-acetyltransferase from thermoplasma acidophilum in complex with coenzyme a

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 33% strand (DSSP).

Ligands and binding sites

• COA · Coenzyme A · ligand · chains A
• UNL · Unknown ligand · ligand · chains A
• NI · Nickel (II) ion · metal · chains A
• SO4 · Sulfate ion · ion · chains A
• BME · Beta-mercaptoethanol · additive · 2 copies · chains A
• GOL · Glycerol · additive · 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.

Modifications

Observed in the structure: 3 modified (engineered).

Compared structures

• 3NE7 · Crystal structure of paia n-acetyltransferase from thermoplasma acidophilum in complex… · the same entry in another collection · chain A against A, TM-score 1.00
• Q9HL57 · AlphaFold monomer V2.0 prediction for spermidine N(1)-acetyltransferase (Q9HL57) · 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 Q9HL57
• Elsewhere: RCSB PDB 3NE7 · PDBe 3NE7 · UniProt Q9HL57