MolNFT v1 · #81672 · protein
Crystal structure of the dengue virus serotype 4 envelope protein domain III in complex with the variable domains of mab 4E11
3UYP · Anti-dengue mab 4E11: “Crystal structure of the dengue virus serotype 4 envelope protein domain III in complex with the variable…”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.39). MolNFT v1 #81672 on…
- PDB
- 3UYP
- Type
- protein
- Length
- 322 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Anti-dengue mab 4E11; Envelope protein
- UniProt
- Q9IZJ0
- Ligands
- SO4
- Pockets
- 2 · best druggability 0.39
Structure
x-ray diffraction · 2 distinct chains · 5% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Anti-dengue mab 4E11 | protein | 226 | 5% helix, 50% strand | — |
| B | Envelope protein | protein | 96 | 3% helix, 47% strand | Q9IZJ0 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains A
- GOL · Glycerol · additive · 6 copies · chains A, B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 133 | 0.39 | 0.74 | 20 | empty |
| 2 | 74 | 0.30 | 0.73 | 18 | GOL |
Interfaces
1 interface between chains.
- A–B · 948 Ų buried · 18 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 3UYP · Crystal structure of the dengue virus serotype 4 envelope protein domain III in complex… · 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 Q9IZJ0
- Elsewhere: RCSB PDB 3UYP · PDBe 3UYP · UniProt Q9IZJ0
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