MolNFT v1 · #184696 · protein
Cryoem structure of human enterovirus 70 in complex with WIN51711
7OZL · Capsid protein VP1: “Cryoem structure of human enterovirus 70 in complex with WIN51711”. Electron microscopy, 1 ligand (W71), 11 pockets (best druggability 0.80). MolNFT v1 #184696 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7OZL
- Type
- protein
- Length
- 819 residues
- Chains
- 4
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Capsid protein VP1; Capsid protein VP2; Capsid protein VP3; Capsid protein VP4
- UniProt
- P32537
- Ligands
- W71
- Pockets
- 11 · best druggability 0.80
Structure
electron microscopy · 4 distinct chains · 9% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Capsid protein VP1 | protein | 297 | 8% helix, 30% strand | P32537 |
| B | Capsid protein VP2 | protein | 239 | 11% helix, 38% strand | P32537 |
| C | Capsid protein VP3 | protein | 243 | 7% helix, 30% strand | P32537 |
| D | Capsid protein VP4 | protein | 40 | 18% helix, 8% strand | P32537 |
Ligands and binding sites
- W71 · 5-(7-(4-(4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole · ligand · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 398 | 0.80 | 0.88 | 44 | W71 |
| 2 | 152 | 0.51 | 0.79 | 30 | empty |
| 3 | 136 | 0.50 | 0.79 | 28 | empty |
| 4 | 118 | 0.43 | 0.77 | 25 | empty |
| 5 | 55 | 0.41 | 0.81 | 16 | empty |
Interfaces
6 interfaces between chains.
- A–C · 4492 Ų buried · 60 hydrogen bonds · protein-protein
- A–B · 2033 Ų buried · 44 hydrogen bonds · protein-protein
- B–C · 1709 Ų buried · 21 hydrogen bonds · protein-protein
- A–D · 1127 Ų buried · 9 hydrogen bonds · protein-protein
- C–D · 851 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 7OZL · CryoEM structure of human enterovirus 70 in complex with WIN51711 · 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 P32537
- Elsewhere: RCSB PDB 7OZL · PDBe 7OZL · UniProt P32537
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