4WH8: Crystal Structure of HCV NS3/4A protease in complex with an Asunaprevir P1-P3 macrocyclic analog

PDB ID: 4WH8Download
MMDB ID: 123945
PDB Deposition Date: 2014/9/20
Updated in MMDB: 2019/12
Experimental Method:
x-ray diffraction
Resolution: 2.703  Å
Source Organism:
Similar Structures:
Biological Unit for 4WH8: monomeric; determined by author
Molecular Components in 4WH8
Label Count Molecule
Protein (1 molecule)
1
Genome Polyprotein
Molecule annotation
Chemicals and Non-standard biopolymers (4 molecules)
1
1
tert-butyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-14a-{[cyclopropyl(dihydroxy)-lambda~4~-sulfanyl]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]carbamatetert-butyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-14a-{[cyclopropyl(dihydroxy)-lambda~4~-sulfanyl]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]carbamate
2
2
SULFATE IONSULFATE ION
3
1
ZINC IONZINC 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