MolNFT v1 · #187257 · protein
Structure of the SARS-cov-2 main protease in complex with inhibitor MPI29
7S6W: “Structure of the SARS-cov-2 main protease in complex with inhibitor MPI29”. X-ray diffraction, 1 ligand (8G9). MolNFT v1 #187257 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7S6W
- Type
- protein
- Length
- 612 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P0DTD1
- Ligands
- 8G9
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | — | protein | 306 | — | P0DTD1 |
Ligands and binding sites
- 8G9 · (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7S6W · Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI29 · 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 7S6W · PDBe 7S6W · UniProt P0DTD1
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