MolNFT v1 · #177074 · protein
Crystal structure of hcov-NL63 3C-like PROTEASE,PH5.2
7E6N · 3C-like proteinase: “Crystal structure of hcov-NL63 3C-like PROTEASE,PH5.2”. X-ray diffraction, 6 pockets (best druggability 0.70). MolNFT v1 #177074 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7E6N
- Type
- protein
- Length
- 596 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3C-like proteinase
- EC
- 3.4.22.-
- UniProt
- P0C6U6
- Pockets
- 6 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 24% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3C-like proteinase (EC 3.4.22.-) | protein | 299 | 24% helix, 29% strand | P0C6U6 |
| B | 3C-like proteinase (EC 3.4.22.-) | protein | 297 | 24% helix, 29% strand | P0C6U6 |
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 | 868 | 0.70 | 0.76 | 71 | empty |
| 2 | 498 | 0.65 | 0.77 | 64 | empty |
| 3 | 302 | 0.60 | 0.79 | 44 | empty |
| 4 | 210 | 0.46 | 0.74 | 25 | empty |
| 5 | 124 | 0.41 | 0.75 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 1081 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 7E6N · Crystal structure of HCoV-NL63 3C-like protease,pH5.2 · 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 P0C6U6
- Elsewhere: RCSB PDB 7E6N · PDBe 7E6N · UniProt P0C6U6
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