MolNFT v1 · #81692 · protein
Crystal structure of the dengue virus serotype 1 envelope protein domain III in complex with the variable domains of mab 4E11
3UZQ · Anti-dengue mab 4E11: “Crystal structure of the dengue virus serotype 1 envelope protein domain III in complex with the variable…”. X-ray diffraction, 3 pockets (best druggability 0.47). MolNFT v1 #81692 on GenesisL1: 3D structure…
- PDB
- 3UZQ
- Type
- protein
- Length
- 329 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Anti-dengue mab 4E11; Envelope protein
- UniProt
- Q9II01
- Pockets
- 3 · best druggability 0.47
Structure
x-ray diffraction · 2 distinct chains · 4% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Anti-dengue mab 4E11 | protein | 234 | 5% helix, 49% strand | — |
| B | Envelope protein | protein | 95 | 0% helix, 44% strand | Q9II01 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 8 copies · chains A, B
- GOL · Glycerol · additive · chains A
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 132 | 0.47 | 0.78 | 26 | empty |
| 2 | 115 | 0.36 | 0.73 | 23 | EDO |
| 3 | 59 | 0.29 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 987 Ų buried · 18 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 3UZQ · Crystal structure of the dengue virus serotype 1 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 Q9II01
- Elsewhere: RCSB PDB 3UZQ · PDBe 3UZQ · UniProt Q9II01
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