MolNFT v1 · #188037 · protein
Co-crystal structure of SARS-cov-2 mpro C145A with substrate peptide 7/8
7T8R · 3C-like proteinase: “Co-crystal structure of SARS-cov-2 mpro C145A with substrate peptide 7/8”. X-ray diffraction, 1 pocket (best druggability 0.30). MolNFT v1 #188037 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7T8R
- Type
- protein
- Length
- 312 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3C-like proteinase; Nonstructural protein 7/8
- EC
- 3.4.22.69
- UniProt
- P0DTD1
- Pockets
- 1 · best druggability 0.30
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3C-like proteinase (EC 3.4.22.69) | protein | 304 | 25% helix, 29% strand | P0DTD1 |
| B | Nonstructural protein 7/8 | protein | 8 | 0% helix, 25% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 68 | 0.30 | 0.74 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 708 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 7T8R · Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 7/8 · 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 7T8R · PDBe 7T8R · UniProt P0DTD1
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