MolNFT v1 · #186245 · protein
Peptidomimetic nitrile warheads as SARS-cov-2 3CL protease inhibitors
7R7H: “Peptidomimetic nitrile warheads as SARS-cov-2 3CL protease inhibitors”. X-ray diffraction, 1 ligand (4IT). MolNFT v1 #186245 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7R7H
- Type
- protein
- Length
- 612 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P0DTD1
- Ligands
- 4IT
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | — | protein | 306 | — | P0DTD1 |
Ligands and binding sites
- 4IT · N-[(2S)-1-({(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-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
- 7R7H · Peptidomimetic nitrile warheads as SARS-CoV-2 3CL protease inhibitors · 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 7R7H · PDBe 7R7H · UniProt P0DTD1
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