4CJU: Interrogating HIV integrase for compounds that bind- a SAMPL challenge

PDB ID: 4CJUDownload
MMDB ID: 240427
PDB Deposition Date: 2013/12/23
Updated in MMDB: 2023/12
Experimental Method:
x-ray diffraction
Resolution: 1.7  Å
Source Organism:
Similar Structures:
Biological Unit for 4CJU: dimeric; determined by author and by software (PISA)
Molecular Components in 4CJU
Label Count Molecule
Proteins (2 molecules)
2
Integrase
Molecule annotation
Chemicals and Non-standard biopolymers (13 molecules)
1
6
SULFATE IONSULFATE ION
2
5
ACETATE IONACETATE ION
3
2
5-[(Z)-2-phenylethenyl]-1,3-benzodioxole-4-carboxylic acid5-[(Z)-2-phenylethenyl]-1,3-benzodioxole-4-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