2A4Q: HCV NS3 protease with NS4a peptide and a covalently bound macrocyclic ketoamide compound

PDB ID: 2A4QDownload
MMDB ID: 39551
PDB Deposition Date: 2005/6/29
Updated in MMDB: 2021/10
Experimental Method:
x-ray diffraction
Resolution: 2.45  Å
Source Organism:
synthetic construct▼
Similar Structures:
Biological Unit for 2A4Q: tetrameric; determined by author and by software (PISA)
Molecular Components in 2A4Q
Label Count Molecule
Proteins (4 molecules)
2
NS3 Protease/helicase'
Molecule annotation
2
Ns4a Peptide
Molecule annotation
Chemicals and Non-standard biopolymers (4 molecules)
1
2
ZINC IONZINC ION
2
1
BETA-MERCAPTOETHANOLBETA-MERCAPTOETHANOL
3
1
(2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL-5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA-1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID(2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL-5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA-1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID
* 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