Research workbench
Cryo-EM reconstruction of enterovirus 71 in complex with a neutralizing antibody E18
Analyse Cryo-EM reconstruction of enterovirus 71 in complex with a neutralizing… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4C0U
- Type
- protein
- Length
- 1,148 residues
- Chains
- 5
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- VP1; VP2; VP3; Fab EV18 4 D6-1 F1 G9
- UniProt
- A9X4C2
- Pockets
- 17 · best druggability 0.82
Structure
electron microscopy · 5 distinct chains · 11% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | VP1 | protein | 225 | 14% helix, 32% strand | A9X4C2 |
| B | VP2 | protein | 244 | 14% helix, 38% strand | A9X4C2 |
| C | VP3 | protein | 242 | 12% helix, 31% strand | A9X4C2 |
| Y | Fab EV18 4 D6-1 F1 G9 | protein | 217 | 6% helix, 53% strand | — |
| Z | Fab EV18 4 D6-1 F1 G9 | protein | 220 | 10% helix, 50% strand | — |
Pockets
17 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 464 | 0.82 | 0.89 | 69 | empty |
| 2 | 700 | 0.80 | 0.84 | 105 | empty |
| 3 | 478 | 0.73 | 0.82 | 91 | empty |
| 4 | 439 | 0.70 | 0.81 | 68 | empty |
| 5 | 257 | 0.69 | 0.85 | 47 | empty |
Interfaces
8 interfaces between chains.
- A–C · 3193 Ų buried · 50 hydrogen bonds · protein-protein
- A–B · 1726 Ų buried · 13 hydrogen bonds · protein-protein
- B–C · 1700 Ų buried · 27 hydrogen bonds · protein-protein
- Y–Z · 1016 Ų buried · 0 hydrogen bonds · protein-protein
- C–Z · 723 Ų buried · 28 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 isopeptide (isopeptide).
Compared structures
- 4C0U · Cryo-EM reconstruction of enterovirus 71 in complex with a neutralizing antibody E18 · 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 A9X4C2
- Elsewhere: RCSB PDB 4C0U · PDBe 4C0U · UniProt A9X4C2
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