MolNFT v1 · #141077 · protein
Crystal structure of full length NS2B47-NS3 (GD4NS2BNS3) from dengue virus 4 in open conformation
5YVJ · Genome polyprotein: “Crystal structure of full length NS2B47-NS3 (GD4NS2BNS3) from dengue virus 4 in open conformation”. X-ray diffraction, 4 pockets (best druggability 0.82). MolNFT v1 #141077 on GenesisL1: 3D structure, binding…
- PDB
- 5YVJ
- Type
- protein
- Length
- 604 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Genome polyprotein
- UniProt
- F8TEL4, Q2YHE8
- Pockets
- 4 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Genome polyprotein | protein | 589 | 25% helix, 25% strand | F8TEL4 |
| C | Genome polyprotein | protein | 15 | 0% helix, 47% strand | Q2YHE8 |
Ligands and binding sites
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1110 | 0.82 | 0.83 | 91 | empty |
| 2 | 608 | 0.71 | 0.79 | 60 | GOL |
| 3 | 63 | 0.29 | 0.74 | 13 | empty |
| 4 | 61 | 0.27 | 0.74 | 16 | empty |
Interfaces
1 interface between chains.
- B–C · 1134 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 5YVJ · Crystal structure of full length NS2B47-NS3 (gD4NS2BNS3) from Dengue virus 4 in open… · the same entry in another collection · chain B against B, 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 F8TEL4
- Every structure of UniProt Q2YHE8
- Elsewhere: RCSB PDB 5YVJ · PDBe 5YVJ · UniProt F8TEL4 · UniProt Q2YHE8
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