Research workbench
Crystal structures of the mature envelope glycoprotein complex (furin cleavage) of chikungunya virus.
Analyse Crystal structures of the mature envelope glycoprotein complex (furin cleavage)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- 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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