MolNFT v1 · #24086 · protein
Crystal structure of SARS coronavirus main proteinase (3CLPRO) at PH8.0
1UK2 · 3C-like proteinase: “Crystal structure of SARS coronavirus main proteinase (3CLPRO) at PH8.0”. X-ray diffraction, 6 pockets (best druggability 0.77). MolNFT v1 #24086 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1UK2
- Type
- protein
- Length
- 604 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3C-like proteinase
- EC
- 3.4.24.-
- UniProt
- P59641
- Pockets
- 6 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 25% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 3C-like proteinase (EC 3.4.24.-) | protein | 302 | 25% helix, 28% strand | P59641 |
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 | 1191 | 0.77 | 0.79 | 89 | empty |
| 2 | 273 | 0.63 | 0.81 | 39 | empty |
| 3 | 443 | 0.59 | 0.75 | 69 | empty |
| 4 | 173 | 0.50 | 0.77 | 35 | empty |
| 5 | 142 | 0.44 | 0.75 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 1284 Ų buried · 28 hydrogen bonds · protein-protein
Compared structures
- 1UK2 · Crystal structure of SARS Coronavirus Main Proteinase (3CLpro) At pH8.0 · 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 P59641
- Elsewhere: RCSB PDB 1UK2 · PDBe 1UK2 · UniProt P59641
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.