Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured soil metagenomic sample in complex with sisomicin

Structure

x-ray diffraction · 3 distinct chains · 33% helix, 33% strand (DSSP).

Ligands and binding sites

• SIS · (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside · ligand · 4 copies · chains A, B, D, C
• CA · Calcium ion · metal · 5 copies · chains A, B, D, C
• MG · Magnesium ion · metal · 3 copies · chains A, C, D
• ACT · Acetate ion · additive · 4 copies · chains A, B, C, D

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

5 interfaces between chains.

• A–B · 3199 Ų buried · 55 hydrogen bonds · protein-protein
• C–D · 3184 Ų buried · 54 hydrogen bonds · protein-protein
• A–D · 310 Ų buried · 1 hydrogen bond · protein-protein
• B–D · 221 Ų buried · 3 hydrogen bonds · protein-protein
• A–C · 216 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

• 5U08 · Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured… · the same entry in another collection · chain A against A, TM-score 1.00

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 A0A059WZ16
• Elsewhere: RCSB PDB 5U08 · PDBe 5U08 · UniProt A0A059WZ16