MolNFT v2 · #218566 · protein
Crystal structure of MERS-CoV main protease
8R5J · Non-structural protein 11: “Crystal structure of MERS-CoV main protease”. X-ray diffraction at 1.898, 5 pockets (best druggability 0.77). MolNFT v2 #218566 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 8R5J
- Type
- protein
- Length
- 606 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.898
- Source
- Middle East respiratory syndrome-related coronavirus
- Molecule
- Non-structural protein 11
- UniProt
- K9N638
- Pockets
- 5 · best druggability 0.77
Structure
x-ray diffraction · resolution 1.898 · 1 distinct chain · 25% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Non-structural protein 11 | protein | 303 | 25% helix, 30% strand | K9N638 |
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 975 | 0.77 | 0.80 | 70 | empty |
| 2 | 526 | 0.64 | 0.76 | 66 | empty |
| 3 | 398 | 0.60 | 0.76 | 52 | empty |
| 4 | 193 | 0.52 | 0.78 | 26 | empty |
| 5 | 192 | 0.48 | 0.75 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 1378 Ų buried · 29 hydrogen bonds · protein-protein
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 K9N638
- Elsewhere: RCSB PDB 8R5J · PDBe 8R5J · UniProt K9N638
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