MolNFT v1 · #188401 · protein
Structure of SARS-cov-2 3CL protease in complex with the cyclopropane based inhibitor 5C
7TQ3: “Structure of SARS-cov-2 3CL protease in complex with the cyclopropane based inhibitor 5C”. X-ray diffraction, 1 ligand (IS5). MolNFT v1 #188401 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7TQ3
- Type
- protein
- Length
- 587 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P0DTD1
- Ligands
- IS5
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 293 | — | P0DTD1 |
| B | — | protein | 294 | — | P0DTD1 |
Ligands and binding sites
- IS5 · N~2~-({[(1R,2R)-2-(3-fluorophenyl) cyclopropyl]methoxy}carbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7TQ3 · Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 5c · 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 7TQ3 · PDBe 7TQ3 · UniProt P0DTD1
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