MolNFT v1 · #142897 · protein
The structure of enterovirus D68 mature virion in complex with Fab 15C5
6AJ7 · Vl of Fab 15C5: “The structure of enterovirus D68 mature virion in complex with Fab 15C5”. Electron microscopy, 11 pockets (best druggability 0.74). MolNFT v1 #142897 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6AJ7
- Type
- protein
- Length
- 901 residues
- Chains
- 5
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Vl of Fab 15C5; Vh of Fab 15C5; Capsid protein VP1; Capsid protein VP2; Capsid protein VP3
- UniProt
- A0A097F8Q2, A0A0A7X639
- Pockets
- 11 · best druggability 0.74
Structure
electron microscopy · 5 distinct chains · 4% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | Vl of Fab 15C5 | protein | 96 | 0% helix, 35% strand | — |
| H | Vh of Fab 15C5 | protein | 116 | 5% helix, 41% strand | — |
| A | Capsid protein VP1 | protein | 209 | 3% helix, 37% strand | A0A097F8Q2 |
| B | Capsid protein VP2 | protein | 233 | 6% helix, 29% strand | A0A0A7X639 |
| C | Capsid protein VP3 | protein | 247 | 4% helix, 29% strand | — |
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 | 359 | 0.74 | 0.85 | 49 | empty |
| 2 | 912 | 0.72 | 0.76 | 81 | empty |
| 3 | 171 | 0.58 | 0.82 | 31 | empty |
| 4 | 76 | 0.48 | 0.83 | 16 | empty |
| 5 | 159 | 0.46 | 0.76 | 26 | empty |
Interfaces
7 interfaces between chains.
- A–C · 3190 Ų buried · 29 hydrogen bonds · protein-protein
- B–C · 1745 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 1702 Ų buried · 17 hydrogen bonds · protein-protein
- L–H · 676 Ų buried · 1 hydrogen bond · protein-protein
- H–C · 285 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 6AJ7 · The structure of Enterovirus D68 mature virion in complex with Fab 15C5 · the same entry in another collection · chain L against L, 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 A0A097F8Q2
- Every structure of UniProt A0A0A7X639
- Elsewhere: RCSB PDB 6AJ7 · PDBe 6AJ7 · UniProt A0A097F8Q2 · UniProt A0A0A7X639
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