MolNFT v1 · #186017 · protein
Structure of the dimeric complex between precursor membrane ectodomain (prm) and envelope protein ectodomain (E) from tick-borne encephalitis virus
7QRF: “Structure of the dimeric complex between precursor membrane ectodomain (prm) and envelope protein ectodomain…”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.44). MolNFT v1 #186017 on GenesisL1: 3D structure…
- PDB
- 7QRF
- Type
- protein
- Length
- 466 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Envelope protein E; Unknown peptide; Genome polyprotein
- UniProt
- P14336
- Ligands
- SO4
- Pockets
- 2 · best druggability 0.44
Structure
x-ray diffraction · 3 distinct chains · 7% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Envelope protein E | protein | 381 | 8% helix, 49% strand | P14336 |
| C | Unknown peptide | protein | 5 | 0% helix, 0% strand | — |
| D | Genome polyprotein | protein | 80 | 4% helix, 53% strand | P14336 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 8 copies · chains A, D
- PE4 · 2-{2-[2-(2-{2-[2-(2-ethoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethanol · additive · chains A
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 | 177 | 0.44 | 0.74 | 34 | empty |
| 2 | 68 | 0.31 | 0.75 | 16 | empty |
Interfaces
2 interfaces between chains.
- A–D · 848 Ų buried · 11 hydrogen bonds · protein-protein
- C–D · 207 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 disulfide (disulfide).
Compared structures
- 7QRF · Structure of the dimeric complex between precursor membrane ectodomain (prM) and envelope… · 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 P14336
- Elsewhere: RCSB PDB 7QRF · PDBe 7QRF · UniProt P14336
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