MolNFT v1 · #163616 · protein
Post-fusion conformation of the envelope protein of tick-borne encephalitis virus with longer stem
6S8C · Genome POLYPROTEIN,GENOME polyprotein: “Post-fusion conformation of the envelope protein of tick-borne encephalitis virus with longer stem”. X-ray diffraction, 15 pockets (best druggability 0.88). MolNFT v1 #163616 on GenesisL1: 3D…
- PDB
- 6S8C
- Type
- protein
- Length
- 1,016 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Genome POLYPROTEIN,GENOME polyprotein
- EC
- 3.4.21.91, 3.6.1.15, 3.6.4.13, 2.1.1.56, 2.1.1.57, 2.7.7.48
- UniProt
- P14336
- Pockets
- 15 · best druggability 0.88
Structure
x-ray diffraction · 3 distinct chains · 8% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Genome POLYPROTEIN,GENOME polyprotein (EC 3.4.21.91, 3.6.1.15, 3.6.4.13, 2.1.1.56, 2.1.1.57, 2.7.7.48) | protein | 331 | 8% helix, 47% strand | P14336 |
| B | Genome POLYPROTEIN,GENOME polyprotein (EC 3.4.21.91, 3.6.1.15, 3.6.4.13, 2.1.1.56, 2.1.1.57, 2.7.7.48) | protein | 348 | 8% helix, 51% strand | P14336 |
| C | Genome POLYPROTEIN,GENOME polyprotein (EC 3.4.21.91, 3.6.1.15, 3.6.4.13, 2.1.1.56, 2.1.1.57, 2.7.7.48) | protein | 337 | 7% helix, 51% strand | P14336 |
Pockets
15 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 656 | 0.88 | 0.93 | 49 | empty |
| 2 | 121 | 0.80 | 0.98 | 22 | empty |
| 3 | 321 | 0.78 | 0.89 | 48 | empty |
| 4 | 1038 | 0.78 | 0.80 | 117 | empty |
| 5 | 333 | 0.76 | 0.88 | 46 | empty |
Interfaces
3 interfaces between chains.
- A–B · 2095 Ų buried · 36 hydrogen bonds · protein-protein
- A–C · 2055 Ų buried · 30 hydrogen bonds · protein-protein
- B–C · 1969 Ų buried · 29 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 14 disulfide (disulfide).
Compared structures
- 6S8C · Post-fusion conformation of the envelope protein of tick-borne encephalitis virus with… · 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 6S8C · PDBe 6S8C · UniProt P14336
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