MolNFT v1 · #187288 · protein
Cryo-EM structure of SARS-cov-2 main protease C145S in complex with N- terminal peptide
7S82 · 3C-like proteinase: “Cryo-EM structure of SARS-cov-2 main protease C145S in complex with N- terminal peptide”. Electron microscopy, 5 pockets (best druggability 0.73). MolNFT v1 #187288 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7S82
- Type
- protein
- Length
- 634 residues
- Chains
- 4
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3C-like proteinase
- EC
- 3.4.22.69
- UniProt
- P0DTD1
- Pockets
- 5 · best druggability 0.73
Structure
electron microscopy · 2 distinct chains · 22% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 3C-like proteinase (EC 3.4.22.69) | protein | 306 | 23% helix, 21% strand | P0DTD1 |
| C, D | 3C-like proteinase (EC 3.4.22.69) | protein | 11 | 0% helix, 18% strand | P0DTD1 |
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 | 803 | 0.73 | 0.78 | 82 | empty |
| 2 | 278 | 0.52 | 0.74 | 39 | empty |
| 3 | 74 | 0.31 | 0.74 | 16 | empty |
| 4 | 67 | 0.30 | 0.74 | 15 | empty |
| 5 | 61 | 0.29 | 0.74 | 14 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1791 Ų buried · 32 hydrogen bonds · protein-protein
- A–C · 729 Ų buried · 12 hydrogen bonds · protein-protein
- B–D · 716 Ų buried · 20 hydrogen bonds · protein-protein
- C–B · 15 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 10 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7S82 · Cryo-EM structure of SARS-CoV-2 Main protease C145S in complex with N-terminal peptide · 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 7S82 · PDBe 7S82 · UniProt P0DTD1
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