MolNFT v1 · #59823 · protein
The crystal structure of transmembrane domain of M2 protein and amantadine complex
3C9J · Proton channel protein M2, transmembrane segment: “The crystal structure of transmembrane domain of M2 protein and amantadine complex”. X-ray diffraction, 1 ligand (308), 1 pocket (best druggability 0.70). MolNFT v1 #59823 on…
- PDB
- 3C9J
- Type
- protein
- Length
- 100 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Proton channel protein M2, transmembrane segment
- UniProt
- O70632
- Ligands
- 308
- Pockets
- 1 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 60% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Proton channel protein M2, transmembrane segment | protein | 25 | 60% helix, 0% strand | O70632 |
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 | 507 | 0.70 | 0.79 | 39 | 308 |
Interfaces
6 interfaces between chains.
- A–B · 362 Ų buried · 5 hydrogen bonds · protein-protein
- A–D · 353 Ų buried · 2 hydrogen bonds · protein-protein
- C–D · 351 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 337 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 55 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3C9J · The Crystal structure of Transmembrane domain of M2 protein and Amantadine complex · 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 O70632
- Elsewhere: RCSB PDB 3C9J · PDBe 3C9J · UniProt O70632
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