2XCF: Crystal structure of HCV NS3 protease with a boronate inhibitor

PDB ID: 2XCFDownload
MMDB ID: 82426
PDB Deposition Date: 2010/4/22
Updated in MMDB: 2010/06
Experimental Method:
x-ray diffraction
Resolution: 2.48  Å
Source Organism:
Similar Structures:
Biological Unit for 2XCF: tetrameric; determined by author and by software (PISA)
Molecular Components in 2XCF
Label Count Molecule
Proteins (4 molecules)
2
NS3 Protease
Molecule annotation
2
Ns4a
Molecule annotation
Chemicals and Non-standard biopolymers (5 molecules)
1
2
ZINC IONZINC ION
2
2
MAGNESIUM IONMAGNESIUM ION
3
1
CYCLOPENTYL N-[(2S)-1-[(2S,4R)-2-[[(4R)-8-HYDROXY-1,6,10-TRIOXA-5$L^{4}-BORASPIRO[4.5]DECAN-4-YL]CARBAMOYL]-4-ISOQUINOLIN-1-YLOXY-PYRROLIDIN-1-YL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATECYCLOPENTYL N-[(2S)-1-[(2S,4R)-2-[[(4R)-8-HYDROXY-1,6,10-TRIOXA-5$L^{4}-BORASPIRO[4.5]DECAN-4-YL]CARBAMOYL]-4-ISOQUINOLIN-1-YLOXY-PYRROLIDIN-1-YL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE
* 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