Research workbench
Crystal structure of human coxsackievirus A16 uncoating intermediate (space group I222)
Analyse Crystal structure of human coxsackievirus A16 uncoating intermediate (space… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4JGZ
- Type
- protein
- Length
- 698 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polyprotein, capsid protein VP1; Polyprotein, capsid protein VP2; Polyprotein, capsid…
- UniProt
- I3W9E1
- Pockets
- 11 · best druggability 0.65
Structure
x-ray diffraction · 3 distinct chains · 11% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polyprotein, capsid protein VP1 | protein | 228 | 9% helix, 32% strand | I3W9E1 |
| B | Polyprotein, capsid protein VP2 | protein | 239 | 11% helix, 38% strand | I3W9E1 |
| C | Polyprotein, capsid protein VP3 | protein | 231 | 12% helix, 36% strand | I3W9E1 |
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 | 269 | 0.65 | 0.82 | 27 | empty |
| 2 | 147 | 0.55 | 0.81 | 17 | empty |
| 3 | 96 | 0.51 | 0.83 | 23 | empty |
| 4 | 137 | 0.50 | 0.80 | 20 | empty |
| 5 | 150 | 0.43 | 0.75 | 26 | empty |
Interfaces
3 interfaces between chains.
- A–C · 3481 Ų buried · 58 hydrogen bonds · protein-protein
- A–B · 1748 Ų buried · 28 hydrogen bonds · protein-protein
- B–C · 1565 Ų buried · 18 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 4JGZ · Crystal structure of human coxsackievirus A16 uncoating intermediate (space group I222) · 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 I3W9E1
- Elsewhere: RCSB PDB 4JGZ · PDBe 4JGZ · UniProt I3W9E1
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