MolNFT v1 · #100654 · protein
Human enterovirus 71 uncoating intermediate captured at atomic resolution
4N43 · Capsid protein VP1: “Human enterovirus 71 uncoating intermediate captured at atomic resolution”. X-ray diffraction, 8 pockets (best druggability 0.64). MolNFT v1 #100654 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4N43
- Type
- protein
- Length
- 677 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Capsid protein VP1; Capsid protein VP2; Capsid protein VP3
- UniProt
- M9XM90, Q9WQJ0, Q9WPJ0
- Pockets
- 8 · best druggability 0.64
Structure
x-ray diffraction · 3 distinct chains · 9% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Capsid protein VP1 | protein | 225 | 7% helix, 31% strand | M9XM90 |
| B | Capsid protein VP2 | protein | 229 | 10% helix, 30% strand | Q9WQJ0 |
| C | Capsid protein VP3 | protein | 223 | 9% helix, 30% strand | Q9WPJ0 |
Pockets
8 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 261 | 0.64 | 0.82 | 24 | empty |
| 2 | 114 | 0.48 | 0.80 | 24 | empty |
| 3 | 115 | 0.46 | 0.78 | 19 | empty |
| 4 | 78 | 0.45 | 0.81 | 22 | empty |
| 5 | 194 | 0.43 | 0.73 | 37 | empty |
Interfaces
3 interfaces between chains.
- A–C · 2980 Ų buried · 34 hydrogen bonds · protein-protein
- A–B · 1868 Ų buried · 28 hydrogen bonds · protein-protein
- B–C · 1656 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 4N43 · Human enterovirus 71 uncoating intermediate captured at atomic resolution · the same entry in another collection · chain B against B, 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 M9XM90
- Every structure of UniProt Q9WQJ0
- Every structure of UniProt Q9WPJ0
- Elsewhere: RCSB PDB 4N43 · PDBe 4N43 · UniProt M9XM90 · UniProt Q9WQJ0 · UniProt Q9WPJ0
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