3KFN: HIV Protease (PR) with inhibitor TL-3 and fragment hit 4D9 by soaking

PDB ID: 3KFNDownload
MMDB ID: 80273
PDB Deposition Date: 2009/10/27
Updated in MMDB: 2012/11
Experimental Method:
x-ray diffraction
Resolution: 1.77  Å
Source Organism:
Similar Structures:
Biological Unit for 3KFN: dimeric; determined by author and by software (PISA)
Molecular Components in 3KFN
Label Count Molecule
Proteins (2 molecules)
2
Protease
Molecule annotation
Chemicals and Non-standard biopolymers (9 molecules)
1
1
benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamatebenzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
2
1
(1S,2S)-2-methylcyclohexanol(1S,2S)-2-methylcyclohexanol
3
4
DIMETHYL SULFOXIDEDIMETHYL SULFOXIDE
4
2
POTASSIUM IONPOTASSIUM ION
5
1
BETA-MERCAPTOETHANOLBETA-MERCAPTOETHANOL
* 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