MolNFT v1 · #106165 · protein
Crystal structure of a recombinant EV71 virus particle
4RR3 · Capsid protein VP1: “Crystal structure of a recombinant EV71 virus particle”. X-ray diffraction, 20 pockets (best druggability 0.83). MolNFT v1 #106165 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4RR3
- Type
- protein
- Length
- 3,520 residues
- Chains
- 15
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Capsid protein VP1; Capsid protein VP3; Capsid protein VP0
- UniProt
- F6KTB0
- Pockets
- 20 · best druggability 0.83
Structure
x-ray diffraction · 3 distinct chains · 11% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E, Q, I, M, A | Capsid protein VP1 | protein | 232 | 10% helix, 28% strand | F6KTB0 |
| F, R, J, N, B | Capsid protein VP3 | protein | 230 | 10% helix, 34% strand | F6KTB0 |
| G, S, K, O, C | Capsid protein VP0 | protein | 242 | 12% helix, 32% strand | F6KTB0 |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1105 | 0.83 | 0.84 | 138 | empty |
| 2 | 701 | 0.82 | 0.86 | 93 | empty |
| 3 | 797 | 0.82 | 0.85 | 109 | empty |
| 4 | 852 | 0.81 | 0.84 | 98 | empty |
| 5 | 835 | 0.81 | 0.84 | 108 | empty |
Interfaces
54 interfaces between chains.
- E–F · 3068 Ų buried · 39 hydrogen bonds · protein-protein
- Q–R · 3060 Ų buried · 38 hydrogen bonds · protein-protein
- A–B · 3055 Ų buried · 37 hydrogen bonds · protein-protein
- M–N · 3046 Ų buried · 40 hydrogen bonds · protein-protein
- I–J · 3034 Ų buried · 39 hydrogen bonds · protein-protein
Compared structures
- 4RR3 · Crystal structure of a recombinant EV71 virus particle · the same entry in another collection · chain E against E, 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 F6KTB0
- Elsewhere: RCSB PDB 4RR3 · PDBe 4RR3 · UniProt F6KTB0
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