MolNFT v1 · #101923 · protein
Dengue TYPE2 virus non-structural protein 1 (NS1) form 1 crystal
4O6B: “Dengue TYPE2 virus non-structural protein 1 (NS1) form 1 crystal”. X-ray diffraction, 1 ligand (NAG), 5 pockets (best druggability 0.69). MolNFT v1 #101923 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4O6B
- Type
- protein
- Length
- 642 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Non-structural protein 1
- UniProt
- P29990
- Ligands
- NAG
- Pockets
- 5 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 14% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Non-structural protein 1 | protein | 319 | 14% helix, 31% strand | P29990 |
| B | Non-structural protein 1 | protein | 323 | 14% helix, 31% strand | P29990 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 291 | 0.69 | 0.84 | 43 | empty |
| 2 | 230 | 0.61 | 0.81 | 33 | empty |
| 3 | 144 | 0.42 | 0.75 | 21 | empty |
| 4 | 148 | 0.42 | 0.75 | 25 | empty |
| 5 | 64 | 0.38 | 0.79 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 2095 Ų buried · 29 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 4O6B · Dengue Type2 Virus Non-structural protein 1 (NS1) Form 1 crystal · 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 P29990
- Elsewhere: RCSB PDB 4O6B · PDBe 4O6B · UniProt P29990
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