5SML: PanDDA analysis group deposition of SARS-CoV-2 main protease ligands identified from single sequence-guideddeep generative framework -- Crystal structure of SARS-CoV-2 main protease in complex with Z68337194 (Mpro-IBM0045)

PDB ID: 5SMLDownload
MMDB ID: 229397
PDB Deposition Date: 2022/4/20
Updated in MMDB: 2024/05
Experimental Method:
x-ray diffraction
Resolution: 1.53  Å
Source Organism:
Similar Structures:
Biological Unit for 5SML: dimeric; determined by author and by software (PISA)
Molecular Components in 5SML
Label Count Molecule
Proteins (2 molecules)
2
3c-like Proteinase
Molecule annotation
Chemicals and Non-standard biopolymers (8 molecules)
1
6
DIMETHYL SULFOXIDEDIMETHYL SULFOXIDE
2
2
6-{[(3,4-dichlorophenyl)methyl](methyl)amino}pyridine-3-sulfonamide6-{[(3,4-dichlorophenyl)methyl](methyl)amino}pyridine-3-sulfonamide
* 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