Research workbench
The crystal structure of transmembrane domain of M2 protein and amantadine complex
Analyse The crystal structure of transmembrane domain of M2 protein and amantadine… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- 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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