MolNFT v1 · #42698 · protein
Solid-state NMR structure of the M2 transmembrane peptide of the influenza a virus in dmpc lipid bilayers bound to deuterated amantadine
2KQT · M2 protein: “Solid-state NMR structure of the M2 transmembrane peptide of the influenza a virus in dmpc lipid bilayers…”. Solid-state nmr, 1 ligand (308), 1 pocket (best druggability 0.80). MolNFT v1 #42698 on GenesisL1: 3D…
- PDB
- 2KQT
- Type
- protein
- Length
- 100 residues
- Chains
- 4
- Method
- solid-state nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- M2 protein
- UniProt
- Q9YP62
- Ligands
- 308
- Pockets
- 1 · best druggability 0.80
Structure
solid-state nmr · 1 distinct chain · 84% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | M2 protein | protein | 25 | 84% helix, 0% strand | Q9YP62 |
Ligands and binding sites
- 308 · (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine · 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 | 381 | 0.80 | 0.89 | 37 | 308 |
Interfaces
4 interfaces between chains.
- A–D · 456 Ų buried · 2 hydrogen bonds · protein-protein
- C–D · 456 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 455 Ų buried · 2 hydrogen bonds · protein-protein
- A–B · 453 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 2KQT · Solid-state NMR structure of the M2 transmembrane peptide of the influenza A virus in… · 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 Q9YP62
- Elsewhere: RCSB PDB 2KQT · PDBe 2KQT · UniProt Q9YP62
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