Research workbench
Solution NMR structure of the influenza a virus S31N mutant (19-49) in presence of drug M2WJ332
Analyse Solution NMR structure of the influenza a virus S31N mutant (19-49) in presence… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2LY0
- Type
- protein
- Length
- 124 residues
- Chains
- 4
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Membrane ion channel M2
- UniProt
- Q6XT21
- Ligands
- A2Y
- Pockets
- 1 · best druggability 0.82
Structure
solution nmr · 1 distinct chain · 71% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Membrane ion channel M2 | protein | 31 | 71% helix, 0% strand | Q6XT21 |
Ligands and binding sites
- A2Y · (3S,5S,7S)-N-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methyl}tricyclo[3.3.1.1~3,7~]decan-1-aminium · ligand · chains A, B, C, D
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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1091 | 0.82 | 0.83 | 81 | A2Y |
Interfaces
4 interfaces between chains.
- A–D · 447 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 433 Ų buried · 2 hydrogen bonds · protein-protein
- A–B · 433 Ų buried · 2 hydrogen bonds · protein-protein
- C–D · 427 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 2LY0 · Solution NMR structure of the influenza A virus S31N mutant (19-49) in presence of drug… · 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 Q6XT21
- Elsewhere: RCSB PDB 2LY0 · PDBe 2LY0 · UniProt Q6XT21
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.