MolNFT v1 · #1869 · protein
Bovine enterovirus vg-5-27
1BEV · Bovine enterovirus coat proteins VP1 to VP4: “Bovine enterovirus vg-5-27”. X-ray diffraction, 2 ligands (MYR, SO4), 15 pockets (best druggability 0.85). MolNFT v1 #1869 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1BEV
- Type
- protein
- Length
- 794 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bovine enterovirus coat proteins VP1 to VP4
- UniProt
- P12915
- Ligands
- MYR, SO4
- Pockets
- 15 · best druggability 0.85
Structure
x-ray diffraction · 4 distinct chains · 12% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| 1 | Bovine enterovirus coat proteins VP1 to VP4 | protein | 268 | 12% helix, 30% strand | P12915 |
| 2 | Bovine enterovirus coat proteins VP1 to VP4 | protein | 244 | 14% helix, 37% strand | P12915 |
| 3 | Bovine enterovirus coat proteins VP1 to VP4 | protein | 242 | 10% helix, 30% strand | P12915 |
| 4 | Bovine enterovirus coat proteins VP1 to VP4 | protein | 40 | 18% helix, 5% strand | P12915 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 304 | 0.85 | 0.95 | 47 | MYR |
| 2 | 122 | 0.66 | 0.89 | 30 | empty |
| 3 | 120 | 0.49 | 0.80 | 25 | empty |
| 4 | 178 | 0.49 | 0.77 | 30 | empty |
| 5 | 83 | 0.43 | 0.80 | 17 | empty |
Interfaces
6 interfaces between chains.
- 1–3 · 4214 Ų buried · 66 hydrogen bonds · protein-protein
- 1–2 · 2228 Ų buried · 35 hydrogen bonds · protein-protein
- 2–3 · 1593 Ų buried · 12 hydrogen bonds · protein-protein
- 1–4 · 1124 Ų buried · 15 hydrogen bonds · protein-protein
- 3–4 · 828 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 1BEV · Bovine enterovirus vg-5-27 · the same entry in another collection · chain 1 against 1, 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 P12915
- Elsewhere: RCSB PDB 1BEV · PDBe 1BEV · UniProt P12915
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