MolNFT v1 · #188403 · protein
Structure of SARS-cov-2 3CL protease in complex with the cyclopropane based inhibitor 10D
7TQ5: “Structure of SARS-cov-2 3CL protease in complex with the cyclopropane based inhibitor 10D”. X-ray diffraction, 3 ligands (IRW, ITX, CL). MolNFT v1 #188403 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7TQ5
- Type
- protein
- Length
- 597 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P0DTD1
- Ligands
- IRW, ITX, CL
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 298 | — | P0DTD1 |
| B | — | protein | 299 | — | P0DTD1 |
Ligands and binding sites
- IRW · (1S,2S)-1-hydroxy-2-{[N-({[(1R,2R)-2-(4-methoxyphenyl) cyclopropyl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid · ligand · 2 copies · chains A, B
- ITX · (1R,2S)-1-hydroxy-2-{[N-({[(1R,2R)-2-(4-methoxyphenyl) cyclopropyl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · chains B
- PG4 · Tetraethylene glycol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7TQ5 · Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 10d · 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 7TQ5 · PDBe 7TQ5 · UniProt P0DTD1
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