3TIU: Crystal structure of SARS coronavirus main protease complexed with an alpha,beta-unsaturated ethyl ester inhibitor SG82

PDB ID: 3TIUDownload
MMDB ID: 102097
PDB Deposition Date: 2011/8/22
Updated in MMDB: 2024/11
Experimental Method:
x-ray diffraction
Resolution: 2.08  Å
Source Organism:
Similar Structures:
Biological Unit for 3TIU: dimeric; determined by author and by software (PISA)
Molecular Components in 3TIU
Label Count Molecule
Proteins (2 molecules)
2
Sars Coronavirus Main Protease
(Gene symbol: orf1ab)
Molecule annotation
Chemicals and Non-standard biopolymers (4 molecules)
1
2
DIMETHYL SULFOXIDEDIMETHYL SULFOXIDE
2
2
ETHYL (5S,8S,11R)-8-BENZYL-5-(3-TERT-BUTOXY-3-OXOPROPYL)-3,6,9-TRIOXO-11-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}-1-PHENYL-2-OXA-4,7,10-TRIAZATETRADECAN-14-OATEETHYL (5S,8S,11R)-8-BENZYL-5-(3-TERT-BUTOXY-3-OXOPROPYL)-3,6,9-TRIOXO-11-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}-1-PHENYL-2-OXA-4,7,10-TRIAZATETRADECAN-14-OATE
* 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