3LOX: HCV NS3-4a protease domain with a ketoamide inhibitor derivative of Boceprevir bound

PDB ID: 3LOXDownload
MMDB ID: 88808
PDB Deposition Date: 2010/2/4
Updated in MMDB: 2012/09
Experimental Method:
x-ray diffraction
Resolution: 2.65  Å
Source Organism:
hepatitis C virus genotype 1a▼
Similar Structures:
Biological Unit for 3LOX: tetrameric; determined by author and by software (PISA)
Molecular Components in 3LOX
Label Count Molecule
Proteins (4 molecules)
2
HCV NS3 Protease
Molecule annotation
2
HCV Ns4a(21-39) Peptide
Molecule annotation
Chemicals and Non-standard biopolymers (4 molecules)
1
2
ZINC IONZINC ION
2
1
(1R,2S,5S)-N-[(2S,3R)-4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl]-6,6-dimethyl-3-{3-methyl-N-[(1-methylcyclohexyl)c arbamoyl]-L-valyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide(1R,2S,5S)-N-[(2S,3R)-4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl]-6,6-dimethyl-3-{3-methyl-N-[(1-methylcyclohexyl)c arbamoyl]-L-valyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide
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