MolNFT v1 · #109444 · protein
Crystal structure of the murine norovirus NS6 protease (inactive C139A mutant) with a C-terminal extension to include residues P1 prime - P2 prime of NS7
4X2W: “Crystal structure of the murine norovirus NS6 protease (inactive C139A mutant) with a C-terminal extension to…”. X-ray diffraction, 3 pockets (best druggability 0.67). MolNFT v1 #109444 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4X2W
- Type
- protein
- Length
- 346 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NS6 protease
- UniProt
- Q80J95
- Pockets
- 3 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 1% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NS6 protease | protein | 173 | 3% helix, 50% strand | Q80J95 |
| B | NS6 protease | protein | 173 | 0% helix, 42% strand | Q80J95 |
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 467 | 0.67 | 0.79 | 65 | empty |
| 2 | 95 | 0.46 | 0.80 | 26 | empty |
| 3 | 111 | 0.42 | 0.77 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 1132 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 4X2W · Crystal structure of the Murine Norovirus NS6 protease (inactive C139A mutant) with a… · 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 Q80J95
- Elsewhere: RCSB PDB 4X2W · PDBe 4X2W · UniProt Q80J95
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