MolNFT v1 · #181940 · protein
Structure of SARS-COV2 3CL protease covalently bound to peptidomimetic inhibitor
7MBI: “Structure of SARS-COV2 3CL protease covalently bound to peptidomimetic inhibitor”. X-ray diffraction, 2 ligands (YWJ, FN7). MolNFT v1 #181940 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7MBI
- Type
- protein
- Length
- 1,220 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P0DTD1
- Ligands
- YWJ, FN7
Structure
x-ray diffraction · 3 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 303 | — | P0DTD1 |
| B, D | — | protein | 306 | — | P0DTD1 |
| C | — | protein | 305 | — | P0DTD1 |
Ligands and binding sites
- YWJ · 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide · ligand · 4 copies · chains A, B, C, D
- FN7 · 2,4,6-trimethylpyridine-3-carboxylic acid · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7MBI · Structure of SARS-CoV2 3CL protease covalently bound to peptidomimetic inhibitor · 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 7MBI · PDBe 7MBI · UniProt P0DTD1
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