6P6Q: HCV NS3/4A protease domain of genotype 1a3a chimera in complex with grazoprevir

PDB ID: 6P6QDownload
MMDB ID: 188716
PDB Deposition Date: 2019/6/4
Updated in MMDB: 2023/10
Experimental Method:
x-ray diffraction
Resolution: 3.5  Å
Source Organism:
Similar Structures:
Biological Unit for 6P6Q: monomeric; determined by author and by software (PISA)
Molecular Components in 6P6Q
Label Count Molecule
Protein (1 molecule)
1
Non-structural Protein 4a,serine Protease NS3
Molecule annotation
Chemicals and Non-standard biopolymers (9 molecules)
1
2
(1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di oxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadec ino[11,12-b]quinoxaline-8-carboxamide(1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di oxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadec ino[11,12-b]quinoxaline-8-carboxamide
2
1
ZINC IONZINC ION
3
2
2-(N-MORPHOLINO)-ETHANESULFONIC ACID2-(N-MORPHOLINO)-ETHANESULFONIC ACID
4
4
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