3SJI: crystal structure of CVA16 3C in complex with Rupintrivir (AG7088)

PDB ID: 3SJIDownload
MMDB ID: 92620
PDB Deposition Date: 2011/6/21
Updated in MMDB: 2023/09
Experimental Method:
x-ray diffraction
Resolution: 1.798  Å
Source Organism:
Similar Structures:
Biological Unit for 3SJI: monomeric; determined by author and by software (PISA)
Molecular Components in 3SJI
Label Count Molecule
Protein (1 molecule)
1
3C Protease
Molecule annotation
Chemicals and Non-standard biopolymers (2 molecules)
1
1
4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER
2
1
SODIUM IONSODIUM 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