MolNFT v1 · #24333 · protein
Low pH induced, membrane fusion conformation of the envelope protein of tick-borne encephalitis virus
1URZ: “Low pH induced, membrane fusion conformation of the envelope protein of tick-borne encephalitis virus”. X-ray diffraction, 20 pockets (best druggability 0.88). MolNFT v1 #24333 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 1URZ
- Type
- protein
- Length
- 2,310 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Envelope protein
- UniProt
- Q80E47
- Pockets
- 20 · best druggability 0.88
Structure
x-ray diffraction · 5 distinct chains · 8% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, E | Envelope protein | protein | 382 | 8% helix, 51% strand | Q80E47 |
| B | Envelope protein | protein | 387 | 8% helix, 52% strand | Q80E47 |
| C | Envelope protein | protein | 385 | 9% helix, 51% strand | Q80E47 |
| D | Envelope protein | protein | 386 | 8% helix, 51% strand | Q80E47 |
| F | Envelope protein | protein | 388 | 8% helix, 51% strand | Q80E47 |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 643 | 0.88 | 0.93 | 45 | empty |
| 2 | 642 | 0.88 | 0.92 | 46 | empty |
| 3 | 214 | 0.84 | 0.97 | 23 | empty |
| 4 | 225 | 0.84 | 0.97 | 24 | empty |
| 5 | 1001 | 0.80 | 0.81 | 94 | empty |
Interfaces
9 interfaces between chains.
- E–F · 2358 Ų buried · 31 hydrogen bonds · protein-protein
- A–B · 2266 Ų buried · 28 hydrogen bonds · protein-protein
- D–E · 2248 Ų buried · 34 hydrogen bonds · protein-protein
- A–C · 2222 Ų buried · 38 hydrogen bonds · protein-protein
- D–F · 2189 Ų buried · 26 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 36 disulfide (disulfide).
Compared structures
- 1URZ · Low pH induced, membrane fusion conformation of the envelope protein of tick-borne… · 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 Q80E47
- Elsewhere: RCSB PDB 1URZ · PDBe 1URZ · UniProt Q80E47
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