MolNFT v1 · #189734 · protein
The crystal structure of SARS-cov-2 3CL protease in complex with compound 1
7VTH: “The crystal structure of SARS-cov-2 3CL protease in complex with compound 1”. X-ray diffraction, 1 ligand (7XB). MolNFT v1 #189734 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7VTH
- Type
- protein
- Length
- 599 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P0DTC1
- Ligands
- 7XB
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 298 | — | P0DTC1 |
| B | — | protein | 301 | — | P0DTC1 |
Ligands and binding sites
- 7XB · 2-[4-[[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]amino]-2,6-bis(oxidanylidene)-3-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazin-1-yl]-N-methyl-ethanamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7VTH · The crystal structure of SARS-CoV-2 3CL protease in complex with compound 1 · 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 7VTH · PDBe 7VTH · UniProt P0DTC1
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