4TWW: Structure of SARS-3CL protease complex with a Bromobenzoyl (S,R)-N-decalin type inhibitor

PDB ID: 4TWWDownload
MMDB ID: 127126
PDB Deposition Date: 2014/7/2
Updated in MMDB: 2024/03
Experimental Method:
x-ray diffraction
Resolution: 2.42  Å
Source Organism:
Similar Structures:
Biological Unit for 4TWW: dimeric; determined by author and by software (PISA)
Molecular Components in 4TWW
Label Count Molecule
Proteins (2 molecules)
2
3c-like Proteinase
(Gene symbol: orf1ab)
Molecule annotation
Chemicals and Non-standard biopolymers (2 molecules)
1
2
(2S)-2-({[(3S,4aR,8aS)-2-(4-bromobenzoyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal(2S)-2-({[(3S,4aR,8aS)-2-(4-bromobenzoyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal
* 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