MolNFT v1 · #51569 · protein
Crystal structure of the NS3 protease-helicase from dengue virus
2VBC · Dengue 4 NS3 full-length protein: “Crystal structure of the NS3 protease-helicase from dengue virus”. X-ray diffraction, 5 pockets (best druggability 0.81). MolNFT v1 #51569 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2VBC
- Type
- protein
- Length
- 615 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dengue 4 NS3 full-length protein; Partial polyprotein for NS2A and NS2B, type 4 prototype…
- UniProt
- Q2TN89, Q91EQ2
- Pockets
- 5 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 23% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dengue 4 NS3 full-length protein | protein | 600 | 24% helix, 25% strand | Q2TN89 |
| B | Partial polyprotein for NS2A and NS2B, type 4 prototype DV4 H241 | protein | 15 | 0% helix, 47% strand | Q91EQ2 |
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1170 | 0.81 | 0.82 | 99 | empty |
| 2 | 674 | 0.74 | 0.81 | 78 | empty |
| 3 | 195 | 0.58 | 0.81 | 38 | empty |
| 4 | 218 | 0.51 | 0.76 | 31 | empty |
| 5 | 203 | 0.48 | 0.75 | 36 | empty |
Interfaces
1 interface between chains.
- A–B · 1092 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 2VBC · Crystal structure of the NS3 protease-helicase from 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 Q2TN89
- Every structure of UniProt Q91EQ2
- Elsewhere: RCSB PDB 2VBC · PDBe 2VBC · UniProt Q2TN89 · UniProt Q91EQ2
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