3KNX: HCV NS3 protease domain with P1-P3 macrocyclic ketoamide inhibitor

PDB ID: 3KNXDownload
MMDB ID: 85757
PDB Deposition Date: 2009/11/12
Updated in MMDB: 2021/10
Experimental Method:
x-ray diffraction
Resolution: 2.65  Å
Source Organism:
Hepatitis C virus (isolate H77)▼
Similar Structures:
Biological Unit for 3KNX: dimeric; determined by author and by software (PISA)
Molecular Components in 3KNX
Label Count Molecule
Proteins (2 molecules)
1
HCV NS3 Protease
Molecule annotation
1
HCV Ns4a Peptide
Molecule annotation
Chemicals and Non-standard biopolymers (3 molecules)
1
1
ZINC IONZINC ION
2
1
(2R)-2-{(3S,13S,16aS,17aR,17bS)-13-[({(1S)-1-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-2,2-dimethylpropyl}carbamoyl)amino]-17,17-dimethyl-1,14-dioxooctadecahydro-2H-cyclopropa[3,4]pyrrolo[1,2-a][1,4]diazacyclohexadecin-3-yl}-2-hydroxy-N-prop-2-en-1-ylethanamide(2R)-2-{(3S,13S,16aS,17aR,17bS)-13-[({(1S)-1-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-2,2-dimethylpropyl}carbamoyl)amino]-17,17-dimethyl-1,14-dioxooctadecahydro-2H-cyclopropa[3,4]pyrrolo[1,2-a][1,4]diazacyclohexadecin-3-yl}-2-hydroxy-N-prop-2-en-1-ylethanamide
3
1
BETA-MERCAPTOETHANOLBETA-MERCAPTOETHANOL
* 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