8CAC: Crystal structure of SARS-CoV-2 Mpro-H172Y mutant in complex with 13b-K

PDB ID: 8CACDownload
MMDB ID: 250603
PDB Deposition Date: 2023/1/24
Updated in MMDB: 2024/10
Experimental Method:
x-ray diffraction
Resolution: 2.13  Å
Source Organism:
Similar Structures:
Biological Unit for 8CAC: dimeric; determined by author and by software (PISA)
Molecular Components in 8CAC
Label Count Molecule
Proteins (2 molecules)
2
3c-like Proteinase Nsp5
Molecule annotation
Chemicals and Non-standard biopolymers (3 molecules)
1
2
~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
2
1
CHLORIDE IONCHLORIDE ION
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303