6DIQ: Crystal structure of HCV NS3/4A protease in complex with P4-P5-1 (WK-23)

PDB ID: 6DIQDownload
MMDB ID: 177872
PDB Deposition Date: 2018/5/23
Updated in MMDB: 2019/12
Experimental Method:
x-ray diffraction
Resolution: 1.579  Å
Source Organism:
Similar Structures:
Biological Unit for 6DIQ: monomeric; determined by author and by software (PISA)
Molecular Components in 6DIQ
Label Count Molecule
Protein (1 molecule)
1
NS3 Protease
Molecule annotation
Chemicals and Non-standard biopolymers (5 molecules)
1
1
methyl [(2S)-1-{[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]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-6-yl]amino}-3,3-dimethyl-1-oxobutan-2-yl]carbamatemethyl [(2S)-1-{[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]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-6-yl]amino}-3,3-dimethyl-1-oxobutan-2-yl]carbamate
2
2
SULFATE IONSULFATE ION
3
1
ZINC IONZINC ION
4
1
GLYCEROLGLYCEROL
* 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