MolNFT v1 · #52590 · protein
Structural and biochemical analysis of human pathogenic astrovirus serine protease at 2.0 ångström resolution
2W5E · Putative serine protease: “Structural and biochemical analysis of human pathogenic astrovirus serine protease at 2.0 ångström resolution”. X-ray diffraction, 2 ligands (CD, CL), 11 pockets (best druggability 0.77). MolNFT v1 #52590…
- PDB
- 2W5E
- Type
- protein
- Length
- 972 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative serine protease
- UniProt
- Q3ZN04
- Ligands
- CD, CL
- Pockets
- 11 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Putative serine protease | protein | 162 | 7% helix, 51% strand | Q3ZN04 |
Ligands and binding sites
- CD · Cadmium ion · metal · 18 copies · chains A, B, F, C, D, E
- CL · Chloride ion · ion · 28 copies · chains A, F, B, C, E, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1180 | 0.77 | 0.79 | 151 | CL |
| 2 | 239 | 0.53 | 0.76 | 29 | empty |
| 3 | 215 | 0.53 | 0.77 | 31 | empty |
| 4 | 169 | 0.52 | 0.79 | 24 | empty |
| 5 | 210 | 0.51 | 0.76 | 29 | empty |
Interfaces
12 interfaces between chains.
- A–B · 1280 Ų buried · 23 hydrogen bonds · protein-protein
- E–F · 1277 Ų buried · 24 hydrogen bonds · protein-protein
- C–D · 1276 Ų buried · 26 hydrogen bonds · protein-protein
- C–E · 273 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 263 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 2W5E · Structural and biochemical analysis of human pathogenic astrovirus serine protease at 2.0… · 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 Q3ZN04
- Elsewhere: RCSB PDB 2W5E · PDBe 2W5E · UniProt Q3ZN04
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.