Research workbench
Crystal structure of the SARS-CoV-2 Main Protease
Analyse Crystal structure of the SARS-CoV-2 Main Protease in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7NTT
- Type
- protein
- Length
- 612 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.743
- Source
- Severe acute respiratory syndrome coronavirus 2
- Molecule
- 3C-like proteinase
- EC
- 3.4.22.69
- UniProt
- P0DTC1
- Ligands
- NA
- Pockets
- 6 · best druggability 0.76
Structure
x-ray diffraction · resolution 1.743 · 1 distinct chain · 26% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 3C-like proteinase (EC 3.4.22.69) | protein | 306 | 26% helix, 29% strand | P0DTC1 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 947 | 0.76 | 0.79 | 79 | empty |
| 2 | 406 | 0.61 | 0.76 | 49 | empty |
| 3 | 220 | 0.52 | 0.77 | 29 | empty |
| 4 | 191 | 0.48 | 0.75 | 31 | empty |
| 5 | 203 | 0.47 | 0.75 | 31 | empty |
Interfaces
1 interface between chains.
- A–B · 1654 Ų buried · 42 hydrogen bonds · protein-protein
Compared structures
- 7NTT · Crystal structure of the SARS-cov-2 main 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 P0DTC1
- Elsewhere: RCSB PDB 7NTT · PDBe 7NTT · UniProt P0DTC1
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.