MolNFT v1 · #72286 · protein
Crystal structures of the mature envelope glycoprotein complex (furin cleavage) of chikungunya virus.
3N42 · E3 envelope glycoprotein: “Crystal structures of the mature envelope glycoprotein complex (furin cleavage) of chikungunya virus.”. X-ray diffraction, 2 ligands (NAG, NDG), 11 pockets (best druggability 0.74). MolNFT v1 #72286 on…
- PDB
- 3N42
- Type
- protein
- Length
- 785 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- E3 envelope glycoprotein; E2 envelope glycoprotein; E1 envelope glycoprotein
- UniProt
- Q1H8W5
- Ligands
- NAG, NDG
- Pockets
- 11 · best druggability 0.74
Structure
x-ray diffraction · 3 distinct chains · 6% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | E3 envelope glycoprotein | protein | 52 | 40% helix, 4% strand | Q1H8W5 |
| B | E2 envelope glycoprotein | protein | 338 | 3% helix, 49% strand | Q1H8W5 |
| F | E1 envelope glycoprotein | protein | 395 | 5% helix, 50% strand | Q1H8W5 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains F, B
- NDG · 2-acetamido-2-deoxy-alpha-D-glucopyranose · sugar · chains F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 661 | 0.74 | 0.80 | 58 | empty |
| 2 | 539 | 0.73 | 0.81 | 52 | empty |
| 3 | 98 | 0.71 | 0.94 | 26 | empty |
| 4 | 172 | 0.58 | 0.82 | 20 | empty |
| 5 | 155 | 0.55 | 0.81 | 23 | empty |
Interfaces
2 interfaces between chains.
- B–F · 2641 Ų buried · 33 hydrogen bonds · protein-protein
- A–B · 928 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 17 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 3N42 · Crystal structures of the mature envelope glycoprotein complex (furin cleavage) of… · 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 Q1H8W5
- Elsewhere: RCSB PDB 3N42 · PDBe 3N42 · UniProt Q1H8W5
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