MolNFT v2 · #207858 · protein
Crystal Structure of SARS-CoV-2 Main protease A193T mutant in complex with Nirmatrelvir
8DZA: “Crystal Structure of SARS-CoV-2 Main protease A193T mutant in complex with Nirmatrelvir”. X-ray diffraction at 1.961, 1 ligand (4WI). MolNFT v2 #207858 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 8DZA
- Type
- protein
- Length
- 606 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.961
- Source
- Severe acute respiratory syndrome coronavirus 2
- UniProt
- P0DTD1
- Ligands
- 4WI
Structure
x-ray diffraction · resolution 1.961 · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 301 | — | P0DTD1 |
| B | — | protein | 305 | — | P0DTD1 |
Ligands and binding sites
- 4WI · (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide · ligand · 2 copies · chains A, B
- DMS · Dimethyl sulfoxide · additive · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 8DZA · PDBe 8DZA · UniProt P0DTD1
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