3AO4: Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase

PDB ID: 3AO4Download
MMDB ID: 89046
PDB Deposition Date: 2010/9/20
Updated in MMDB: 2023/11
Experimental Method:
x-ray diffraction
Resolution: 1.95  Å
Source Organism:
Similar Structures:
Biological Unit for 3AO4: dimeric; determined by author and by software (PISA)
Molecular Components in 3AO4
Label Count Molecule
Proteins (2 molecules)
2
POL Polyprotein
Molecule annotation
Chemicals and Non-standard biopolymers (11 molecules)
1
4
CADMIUM IONCADMIUM ION
2
2
CHLORIDE IONCHLORIDE ION
3
3
SULFATE IONSULFATE ION
4
2
3-(1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-5-amine3-(1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-5-amine
* 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