MolNFT v1 · #176077 · protein
The crystal structure of COVID-19 main protease treated by ga
7DAU: “The crystal structure of COVID-19 main protease treated by ga”. X-ray diffraction, 1 ligand (AU), 2 pockets (best druggability 0.49). MolNFT v1 #176077 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7DAU
- Type
- protein
- Length
- 301 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- COVID-19 main protease
- EC
- 3.4.19.12, 3.4.22.-, 3.4.22.69
- UniProt
- P0DTC1
- Ligands
- AU
- Pockets
- 2 · best druggability 0.49
Structure
x-ray diffraction · 1 distinct chain · 26% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | COVID-19 main protease (EC 3.4.19.12, 3.4.22.-, 3.4.22.69) | protein | 301 | 26% helix, 29% strand | P0DTC1 |
Ligands and binding sites
- AU · Gold ion · metal · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 207 | 0.49 | 0.76 | 26 | AU |
| 2 | 131 | 0.40 | 0.74 | 24 | empty |
Compared structures
- 7DAU · The crystal structure of COVID-19 main protease treated by GA · 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 P0DTC1
- Elsewhere: RCSB PDB 7DAU · PDBe 7DAU · UniProt P0DTC1
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