6PJ2: Crystal structure of HCV NS3/4A D168A protease in complex with P4-P5-4 (AJ-65)

PDB ID: 6PJ2Download
MMDB ID: 184844
PDB Deposition Date: 2019/6/27
Updated in MMDB: 2023/10
Experimental Method:
x-ray diffraction
Resolution: 2.1  Å
Source Organism:
Similar Structures:
Biological Unit for 6PJ2: monomeric; determined by author
Molecular Components in 6PJ2
Label Count Molecule
Protein (1 molecule)
1
NS3 Protease
Molecule annotation
Chemicals and Non-standard biopolymers (7 molecules)
1
1
ZINC IONZINC ION
2
1
(2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-L-isoleucyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methylcyclo propyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacycl opentadecine-14a(5H)-carboxamide(2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-L-isoleucyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methylcyclo propyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacycl opentadecine-14a(5H)-carboxamide
3
4
1,2-ETHANEDIOL1,2-ETHANEDIOL
4
1
SULFATE IONSULFATE 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