MolNFT v1 · #188060 · protein
Co-crystal structure of SARS-cov-2 mpro C145A with substrate peptide 9/10
7TA4 · 3C-like proteinase: “Co-crystal structure of SARS-cov-2 mpro C145A with substrate peptide 9/10”. X-ray diffraction, 4 pockets (best druggability 0.76). MolNFT v1 #188060 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7TA4
- Type
- protein
- Length
- 627 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3C-like proteinase; Nonstructural protein 9/10
- EC
- 3.4.22.69
- UniProt
- P0DTD1
- Pockets
- 4 · best druggability 0.76
Structure
x-ray diffraction · 3 distinct chains · 26% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3C-like proteinase (EC 3.4.22.69) | protein | 303 | 26% helix, 29% strand | P0DTD1 |
| B | 3C-like proteinase (EC 3.4.22.69) | protein | 304 | 26% helix, 29% strand | P0DTD1 |
| C, D | Nonstructural protein 9/10 | protein | 10 | 0% helix, 40% strand | — |
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 963 | 0.76 | 0.79 | 78 | empty |
| 2 | 363 | 0.56 | 0.74 | 55 | empty |
| 3 | 164 | 0.43 | 0.74 | 28 | empty |
| 4 | 62 | 0.31 | 0.75 | 16 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1506 Ų buried · 40 hydrogen bonds · protein-protein
- A–C · 744 Ų buried · 17 hydrogen bonds · protein-protein
- B–D · 721 Ų buried · 17 hydrogen bonds · protein-protein
- A–D · 21 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 19 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7TA4 · Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 9/10 · 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 7TA4 · PDBe 7TA4 · UniProt P0DTD1
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