MolNFT v1 · #29213 · protein
Crystal structure of SARS 3CLPRO C145A mutant
1Z1J · 3C-like proteinase: “Crystal structure of SARS 3CLPRO C145A mutant”. X-ray diffraction, 5 pockets (best druggability 0.76). MolNFT v1 #29213 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1Z1J
- Type
- protein
- Length
- 612 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3C-like proteinase
- EC
- 3.4.22.-
- UniProt
- P59641
- Pockets
- 5 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 23% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 3C-like proteinase (EC 3.4.22.-) | protein | 306 | 23% helix, 25% strand | P59641 |
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1153 | 0.76 | 0.78 | 94 | empty |
| 2 | 615 | 0.65 | 0.75 | 76 | empty |
| 3 | 226 | 0.50 | 0.75 | 29 | empty |
| 4 | 176 | 0.49 | 0.77 | 30 | empty |
| 5 | 73 | 0.32 | 0.74 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1474 Ų buried · 32 hydrogen bonds · protein-protein
Compared structures
- 1Z1J · Crystal structure of SARS 3CLpro C145A 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 P59641
- Elsewhere: RCSB PDB 1Z1J · PDBe 1Z1J · UniProt P59641
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