MolNFT v1 · #173374 · protein
Structure of SARS-cov-2 main protease bound to pelitinib
7AXM: “Structure of SARS-cov-2 main protease bound to pelitinib”. X-ray diffraction, 1 ligand (93J). MolNFT v1 #173374 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7AXM
- Type
- protein
- Length
- 306 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P0DTD1
- Ligands
- 93J
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 306 | — | P0DTD1 |
Ligands and binding sites
- 93J · (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide · ligand · chains A
- DMS · Dimethyl sulfoxide · additive · 4 copies · chains A
- IMD · Imidazole · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7AXM · Structure of SARS-CoV-2 Main Protease bound to Pelitinib · 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 7AXM · PDBe 7AXM · UniProt P0DTD1
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