5ESB: Crystal structure of a genotype 1a/3a chimeric HCV NS3/4A protease in complex with Vaniprevir

PDB ID: 5ESBDownload
MMDB ID: 145203
PDB Deposition Date: 2015/11/16
Updated in MMDB: 2019/12
Experimental Method:
x-ray diffraction
Resolution: 2.4  Å
Source Organism:
Similar Structures:
Biological Unit for 5ESB: monomeric; determined by author and by software (PISA)
Molecular Components in 5ESB
Label Count Molecule
Protein (1 molecule)
1
NS3 Protease
Molecule annotation
Chemicals and Non-standard biopolymers (4 molecules)
1
1
ZINC IONZINC ION
2
2
SULFATE IONSULFATE ION
3
1
(5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide(5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
* 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