MolNFT v1 · #50544 · protein
Proton channel M2 from influenza a in complex with inhibitor rimantadine
2RLF · Matrix protein 2: “Proton channel M2 from influenza a in complex with inhibitor rimantadine”. Solution nmr, 1 ligand (RIM), 2 pockets (best druggability 0.80). MolNFT v1 #50544 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 2RLF
- Type
- protein
- Length
- 152 residues
- Chains
- 4
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Matrix protein 2
- UniProt
- P63231
- Ligands
- RIM
- Pockets
- 2 · best druggability 0.80
Structure
solution nmr · 1 distinct chain · 79% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Matrix protein 2 | protein | 38 | 79% helix, 0% strand | P63231 |
Ligands and binding sites
- RIM · Rimantadine · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 250 | 0.80 | 0.92 | 36 | empty |
| 2 | 870 | 0.76 | 0.79 | 43 | empty |
Interfaces
6 interfaces between chains.
- B–C · 729 Ų buried · 3 hydrogen bonds · protein-protein
- C–D · 663 Ų buried · 3 hydrogen bonds · protein-protein
- A–B · 638 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 610 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 39 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2RLF · Proton Channel M2 from Influenza A in complex with inhibitor rimantadine · the same entry in another collection · chain D against D, 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 P63231
- Elsewhere: RCSB PDB 2RLF · PDBe 2RLF · UniProt P63231
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