MolNFT v1 · #177590 · protein
Crystal structure of SARS-cov-2 3CLPRO in complex with the non- covalent inhibitor wu-02
7EN9: “Crystal structure of SARS-cov-2 3CLPRO in complex with the non- covalent inhibitor wu-02”. X-ray diffraction, 1 ligand (J7O). MolNFT v1 #177590 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7EN9
- Type
- protein
- Length
- 306 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P0DTC1
- Ligands
- J7O
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 306 | — | P0DTC1 |
Ligands and binding sites
- J7O · 5-bromanyl-~{N}-methyl-3-nitro-2-[(4~{R},5~{S})-2-(7-oxidanylisoquinolin-4-yl)carbonyl-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl]benzamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7EN9 · Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-02 · 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 7EN9 · PDBe 7EN9 · UniProt P0DTC1
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