MolNFT v1 · #109878 · protein
Crystal structure basis for pedv 3C like protease
4XFQ · Pedv main protease: “Crystal structure basis for pedv 3C like protease”. X-ray diffraction, 6 pockets (best druggability 0.76). MolNFT v1 #109878 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4XFQ
- Type
- protein
- Length
- 592 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pedv main protease
- UniProt
- K4L9I6
- Pockets
- 6 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pedv main protease | protein | 298 | 24% helix, 29% strand | K4L9I6 |
| B | Pedv main protease | protein | 294 | 25% helix, 30% strand | K4L9I6 |
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 910 | 0.76 | 0.79 | 69 | empty |
| 2 | 277 | 0.59 | 0.79 | 40 | empty |
| 3 | 186 | 0.54 | 0.80 | 31 | empty |
| 4 | 179 | 0.47 | 0.76 | 29 | empty |
| 5 | 149 | 0.43 | 0.75 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 1378 Ų buried · 31 hydrogen bonds · protein-protein
Compared structures
- 4XFQ · Crystal Structure Basis for PEDV 3C Like Protease · 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 K4L9I6
- Elsewhere: RCSB PDB 4XFQ · PDBe 4XFQ · UniProt K4L9I6
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