MolNFT v1 · #173773 · protein
Crystal structure of ligand-free SARS-cov-2 main protease
7BAJ: “Crystal structure of ligand-free SARS-cov-2 main protease”. X-ray diffraction, 2 pockets (best druggability 0.49). MolNFT v1 #173773 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7BAJ
- Type
- protein
- Length
- 306 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Main protease
- EC
- 3.4.19.12, 3.4.22.-, 3.4.22.69, 2.7.7.48, 3.6.4.12, 3.6.4.13, 3.1.13.-, 3.1.-.-, 2.1.1.-
- UniProt
- P0DTD1
- 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 | Main protease (EC 3.4.19.12, 3.4.22.-, 3.4.22.69, 2.7.7.48, 3.6.4.12, 3.6.4.13, 3.1.13.-, 3.1.-.-, 2.1.1.-) | protein | 306 | 26% helix, 29% strand | P0DTD1 |
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 | 213 | 0.49 | 0.75 | 29 | empty |
| 2 | 174 | 0.47 | 0.76 | 25 | empty |
Compared structures
- 7BAJ · Crystal structure of ligand-free SARS-CoV-2 main protease · 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 7BAJ · PDBe 7BAJ · UniProt P0DTD1
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