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

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 37% strand (DSSP).

Ligands and binding sites

• ACO · Acetyl coenzyme *A · ligand · 2 copies · chains A, B
• AKN · (2S)-N-[(1R,2S,3S,4R,5S)-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-azanyl-2-[(2S,3R,4S,5S,6R)-4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-4-azanyl-2-oxidanyl-butanamide · ligand · 2 copies · chains A, B

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 1195 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

• 6VTA · Aminoglycoside N-2'-Acetyltransferase-Ia [AAC(2')-Ia] in complex with amikacin and… · 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 0.97

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 6VTA · PDBe 6VTA · UniProt Q52424