2XNI: Protein-Ligand Complex Of A Novel Macrocyclic Hcv Ns3 Protease Inhibitor Derived From Amino Cyclic Boronates

PDB ID: 2XNIDownload
MMDB ID: 92681
PDB Deposition Date: 2010/8/2
Updated in MMDB: 2012/09
Experimental Method:
x-ray diffraction
Resolution: 3.3  Å
Source Organism:
Similar Structures:
Biological Unit for 2XNI: tetrameric; determined by author and by software (PISA)
Molecular Components in 2XNI
Label Count Molecule
Proteins (4 molecules)
2
NS3 Protease
Molecule annotation
2
Ns4a Cofactor
Molecule annotation
Chemicals and Non-standard biopolymers (5 molecules)
1
1
(1-{[(10-Tert-Butyl-15,15-Dimethyl-3,9,12-Trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-Tetradecahydro-1h,5h-2,23:5,8-Dimethano-4,13,2,8,11-Benzodioxatriazacyclohenicosin-7(3h)-Yl)carbonyl]amino}-3-Hydroxypropyl)(Trihydroxy)borate(1-)(1-{[(10-Tert-Butyl-15,15-Dimethyl-3,9,12-Trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-Tetradecahydro-1h,5h-2,23:5,8-Dimethano-4,13,2,8,11-Benzodioxatriazacyclohenicosin-7(3h)-Yl)carbonyl]amino}-3-Hydroxypropyl)(Trihydroxy)borate(1-)
2
2
Zinc IonZinc Ion
3
2
Magnesium IonMagnesium 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