MolNFT v1 · #191373 · protein
Crystal structure of SARS-cov-2 main protease (mpro) S144L mutant
8DFE · 3C-like proteinase NSP5: “Crystal structure of SARS-cov-2 main protease (mpro) S144L mutant”. X-ray diffraction, 3 pockets (best druggability 0.41). MolNFT v1 #191373 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 8DFE
- Type
- protein
- Length
- 301 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3C-like proteinase NSP5
- EC
- 3.4.22.69
- UniProt
- P0DTD1
- Pockets
- 3 · best druggability 0.41
Structure
x-ray diffraction · 1 distinct chain · 26% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3C-like proteinase NSP5 (EC 3.4.22.69) | protein | 301 | 26% helix, 29% strand | P0DTD1 |
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 131 | 0.41 | 0.75 | 23 | empty |
| 2 | 59 | 0.32 | 0.76 | 16 | empty |
| 3 | 62 | 0.28 | 0.74 | 14 | empty |
Compared structures
- 8DFE · Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144L Mutant · 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 P0DTD1
- Elsewhere: RCSB PDB 8DFE · PDBe 8DFE · UniProt P0DTD1
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