MolNFT v1 · #152719 · protein
P domain of GII.3-TV24
6IR5 · VP1 capsid protein: “P domain of GII.3-TV24”. X-ray diffraction, 15 pockets (best druggability 0.79). MolNFT v1 #152719 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6IR5
- Type
- protein
- Length
- 1,209 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- VP1 capsid protein
- UniProt
- Q66296
- Pockets
- 15 · best druggability 0.79
Structure
x-ray diffraction · 4 distinct chains · 7% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | VP1 capsid protein | protein | 301 | 6% helix, 36% strand | Q66296 |
| B | VP1 capsid protein | protein | 302 | 6% helix, 36% strand | Q66296 |
| C | VP1 capsid protein | protein | 304 | 6% helix, 36% strand | Q66296 |
| D | VP1 capsid protein | protein | 302 | 7% helix, 36% strand | Q66296 |
Pockets
15 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 127 | 0.79 | 0.97 | 41 | empty |
| 2 | 129 | 0.78 | 0.96 | 45 | empty |
| 3 | 970 | 0.73 | 0.77 | 110 | empty |
| 4 | 185 | 0.68 | 0.87 | 28 | empty |
| 5 | 200 | 0.65 | 0.84 | 28 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1845 Ų buried · 29 hydrogen bonds · protein-protein
- B–D · 1806 Ų buried · 27 hydrogen bonds · protein-protein
- C–D · 782 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 6IR5 · P domain of GII.3-TV24 · 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 Q66296
- Elsewhere: RCSB PDB 6IR5 · PDBe 6IR5 · UniProt Q66296
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