Structure of drug-resistant V27A mutant of the influenza M2 proton channel bound to spiroadamantyl amine inhibitor

Structure

x-ray diffraction · 1 distinct chain · 91% helix, 0% strand (DSSP).

Ligands and binding sites

• E01 · (1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine · ligand · 2 copies · chains A, B, C, D, E, F, G, H
• NH2 · Amino group · ion · 8 copies · chains A, B, C, D, E, F, G, H
• CL · Chloride ion · ion · 2 copies · chains A, B, C, D, E, F, G, H
• OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 8 copies · chains A, B, C, D, E, F, H, G

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

Pockets

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

Interfaces

16 interfaces between chains.

• E–F · 464 Ų buried · 4 hydrogen bonds · protein-protein
• G–H · 449 Ų buried · 3 hydrogen bonds · protein-protein
• E–H · 444 Ų buried · 3 hydrogen bonds · protein-protein
• B–C · 441 Ų buried · 1 hydrogen bond · protein-protein
• A–D · 441 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

• 6NV1 · Structure of drug-resistant V27A mutant of the influenza M2 proton channel bound to… · 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 A4D7H3
• Elsewhere: RCSB PDB 6NV1 · PDBe 6NV1 · UniProt A4D7H3