MolNFT v1 · #45175 · protein
Noe-based model of the influenza a virus N31S mutant (19-49) bound to drug 11
2MUW · Matrix protein 2: “Noe-based model of the influenza a virus N31S mutant (19-49) bound to drug 11”. Solution nmr, 1 ligand (3LW), 1 pocket (best druggability 0.78). MolNFT v1 #45175 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2MUW
- Type
- protein
- Length
- 124 residues
- Chains
- 4
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Matrix protein 2
- UniProt
- B0LX40
- Ligands
- 3LW
- Pockets
- 1 · best druggability 0.78
Structure
solution nmr · 1 distinct chain · 74% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Matrix protein 2 | protein | 31 | 74% helix, 0% strand | B0LX40 |
Ligands and binding sites
- 3LW · (3s,5s,7s)-N-[(5-bromothiophen-2-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 | 584 | 0.78 | 0.84 | 50 | 3LW |
Interfaces
4 interfaces between chains.
- A–D · 358 Ų buried · 4 hydrogen bonds · protein-protein
- C–D · 355 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 351 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 348 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 2MUW · NOE-based model of the influenza A virus N31S mutant (19-49) bound to drug 11 · 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 B0LX40
- Elsewhere: RCSB PDB 2MUW · PDBe 2MUW · UniProt B0LX40
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