3ZSX: Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design

PDB ID: 3ZSXDownload
MMDB ID: 101168
PDB Deposition Date: 2011/7/1
Updated in MMDB: 2012/08
Experimental Method:
x-ray diffraction
Resolution: 1.95  Å
Source Organism:
Similar Structures:
Biological Unit for 3ZSX: dimeric; determined by author and by software (PISA)
Molecular Components in 3ZSX
Label Count Molecule
Proteins (2 molecules)
2
Integrase
Molecule annotation
Chemicals and Non-standard biopolymers (14 molecules)
1
6
SULFATE IONSULFATE ION
2
2
1,2-ETHANEDIOL1,2-ETHANEDIOL
3
2
GLYCEROLGLYCEROL
4
2
5-({[2-(benzylcarbamoyl)benzyl](prop-2-en-1-yl)amino}methyl)-1,3-benzodioxole-4-carboxylate5-({[2-(benzylcarbamoyl)benzyl](prop-2-en-1-yl)amino}methyl)-1,3-benzodioxole-4-carboxylate
5
2
ACETATE IONACETATE 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