MolNFT v1 · #155516 · protein
Cryo-EM structure of full echovirus 11 particle at pH 7.4
6LA3 · Capsid protein VP1: “Cryo-EM structure of full echovirus 11 particle at pH 7.4”. Electron microscopy, 1 ligand (SPH), 13 pockets (best druggability 0.80). MolNFT v1 #155516 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6LA3
- Type
- protein
- Length
- 833 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
- Ligands
- SPH
- Pockets
- 13 · best druggability 0.80
Structure
electron microscopy · 4 distinct chains · 9% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Capsid protein VP1 | protein | 285 | 10% helix, 34% strand | — |
| B | Capsid protein VP2 | protein | 251 | 9% helix, 37% strand | — |
| C | Capsid protein VP3 | protein | 238 | 8% helix, 29% strand | — |
| D | Capsid protein VP4 | protein | 59 | 12% helix, 17% strand | — |
Ligands and binding sites
- SPH · Sphingosine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 597 | 0.80 | 0.85 | 72 | SPH |
| 2 | 57 | 0.71 | 0.98 | 21 | empty |
| 3 | 185 | 0.52 | 0.78 | 28 | empty |
| 4 | 106 | 0.50 | 0.82 | 22 | empty |
| 5 | 100 | 0.43 | 0.78 | 13 | empty |
Interfaces
6 interfaces between chains.
- A–C · 4389 Ų buried · 59 hydrogen bonds · protein-protein
- A–B · 2048 Ų buried · 25 hydrogen bonds · protein-protein
- B–C · 1549 Ų buried · 15 hydrogen bonds · protein-protein
- A–D · 1500 Ų buried · 21 hydrogen bonds · protein-protein
- C–D · 922 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 6LA3 · Cryo-EM structure of full echovirus 11 particle at pH 7.4 · 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
- Elsewhere: RCSB PDB 6LA3 · PDBe 6LA3
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