3K4V: New crystal form of HIV-1 Protease/Saquinavir structure reveals carbamylation of N-terminal proline

PDB ID: 3K4VDownload
MMDB ID: 82614
PDB Deposition Date: 2009/10/6
Updated in MMDB: 2011/12
Experimental Method:
x-ray diffraction
Resolution: 1.39  Å
Source Organism:
Similar Structures:
Biological Unit for 3K4V: dimeric; determined by author and by software (PISA)
Molecular Components in 3K4V
Label Count Molecule
Proteins (2 molecules)
2
Hiv-1 Protease
Molecule annotation
Chemicals and Non-standard biopolymers (4 molecules)
1
2
DIMETHYL SULFOXIDEDIMETHYL SULFOXIDE
2
1
(2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide(2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide
3
1
CHLORIDE IONCHLORIDE 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