MolNFT v1 · #12045 · protein
Structure of dengue virus
1K4R · Major envelope protein E: “Structure of dengue virus”. Electron microscopy, 15 pockets (best druggability 0.49). MolNFT v1 #12045 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1K4R
- Type
- protein
- Length
- 1,185 residues
- Chains
- 3
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Major envelope protein E
- UniProt
- C3V005
- Pockets
- 15 · best druggability 0.49
Structure
electron microscopy · 1 distinct chain · 8% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Major envelope protein E | protein | 395 | 8% helix, 49% strand | C3V005 |
Pockets
15 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 95 | 0.49 | 0.82 | 25 | empty |
| 2 | 210 | 0.48 | 0.75 | 35 | empty |
| 3 | 73 | 0.48 | 0.83 | 30 | empty |
| 4 | 130 | 0.47 | 0.78 | 23 | empty |
| 5 | 149 | 0.47 | 0.77 | 27 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1558 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 235 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 146 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 disulfide (disulfide).
Compared structures
- 1K4R · Structure of Dengue Virus · 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 C3V005
- Elsewhere: RCSB PDB 1K4R · PDBe 1K4R · UniProt C3V005
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