Aminoglycoside N-2'-acetyltransferase-ia [AAC(2')-ia] in complex with acetylated-plazomicin and CoA

Structure

x-ray diffraction · 2 distinct chains · 28% helix, 36% strand (DSSP).

Ligands and binding sites

• COA · Coenzyme A · ligand · 2 copies · chains A, B
• PZC · (2S)-N-[(1R,2S,3S,4R,5S)-4-{[(2S,3R)-3-(acetylamino)-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-yl]oxy}-5-amino-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-4-amino-2-hydroxybutanamide · ligand · 2 copies · chains A, B
• TCE · 3,3',3''-phosphanetriyltripropanoic acid · ligand · chains A
• MPD · (4S)-2-methyl-2,4-pentanediol · additive · 3 copies · chains A, B

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

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 1014 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

• 6VOU · Aminoglycoside N-2'-Acetyltransferase-Ia [AAC(2')-Ia] in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
• Q52424 · AlphaFold monomer V2.0 prediction for aminoglycoside 2'-N-acetyltransferase (Q52424) · 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 Q52424
• Elsewhere: RCSB PDB 6VOU · PDBe 6VOU · UniProt Q52424