5SMM: 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 Z1633315555 (Mpro-IBM0058)

PDB ID: 5SMMDownload
MMDB ID: 229398
PDB Deposition Date: 2022/4/20
Updated in MMDB: 2024/05
Experimental Method:
x-ray diffraction
Resolution: 1.58  Å
Source Organism:
Similar Structures:
Biological Unit for 5SMM: dimeric; determined by author and by software (PISA)
Molecular Components in 5SMM
Label Count Molecule
Proteins (2 molecules)
2
3c-like Proteinase
Molecule annotation
Chemicals and Non-standard biopolymers (12 molecules)
1
10
DIMETHYL SULFOXIDEDIMETHYL SULFOXIDE
2
2
N-[4-(3-fluorophenyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamideN-[4-(3-fluorophenyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide
* 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