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

PDB ID: 3ZSZDownload
MMDB ID: 101170
PDB Deposition Date: 2011/7/1
Updated in MMDB: 2023/12
Experimental Method:
x-ray diffraction
Resolution: 2  Å
Source Organism:
Similar Structures:
Biological Unit for 3ZSZ: dimeric; determined by author and by software (PISA)
Molecular Components in 3ZSZ
Label Count Molecule
Proteins (2 molecules)
2
Integrase
Molecule annotation
Chemicals and Non-standard biopolymers (14 molecules)
1
6
SULFATE IONSULFATE ION
2
5
ACETATE IONACETATE ION
3
2
(R)-[2-[[(2S)-BUTAN-2-YL]CARBAMOYL]PHENYL]METHYL-[(4-CARBOXY-1,3-BENZODIOXOL-5-YL)METHYL]-METHYL-AZANIUM(R)-[2-[[(2S)-BUTAN-2-YL]CARBAMOYL]PHENYL]METHYL-[(4-CARBOXY-1,3-BENZODIOXOL-5-YL)METHYL]-METHYL-AZANIUM
4
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