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

PDB ID: 3ZSRDownload
MMDB ID: 101166
PDB Deposition Date: 2011/6/30
Updated in MMDB: 2023/12
Experimental Method:
x-ray diffraction
Resolution: 1.7  Å
Source Organism:
Similar Structures:
Biological Unit for 3ZSR: dimeric; determined by author and by software (PISA)
Molecular Components in 3ZSR
Label Count Molecule
Proteins (2 molecules)
2
Integrase
Molecule annotation
Chemicals and Non-standard biopolymers (12 molecules)
1
6
SULFATE IONSULFATE ION
2
2
CHLORIDE IONCHLORIDE ION
3
2
GLYCEROLGLYCEROL
4
2
(2S)-2-(2-carboxyethyl)-6-{[{2-[(cyclohexylmethyl)carbamoyl]benzyl}(prop-2-en-1-yl)amino]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid(2S)-2-(2-carboxyethyl)-6-{[{2-[(cyclohexylmethyl)carbamoyl]benzyl}(prop-2-en-1-yl)amino]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic 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