6N4N: Crystal structure of the designed protein DNCR2/danoprevir/NS3a complex

PDB ID: 6N4NDownload
MMDB ID: 179316
PDB Deposition Date: 2018/11/19
Updated in MMDB: 2019/10
Experimental Method:
x-ray diffraction
Resolution: 2.29  Å
Source Organism:
synthetic construct▼
Similar Structures:
Biological Unit for 6N4N: dimeric; determined by author
Molecular Components in 6N4N
Label Count Molecule
Proteins (2 molecules)
1
NS3 Protease
Molecule annotation
1
Rosetta-designed Danoprevir/ns3a Complex Reader 2
Molecule annotation
Chemicals and Non-standard biopolymers (5 molecules)
1
1
ZINC IONZINC ION
2
1
(2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate(2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate
3
3
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