3NF6: Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design

PDB ID: 3NF6Download
MMDB ID: 90145
PDB Deposition Date: 2010/6/9
Updated in MMDB: 2012/05
Experimental Method:
x-ray diffraction
Resolution: 1.9  Å
Source Organism:
Similar Structures:
Biological Unit for 3NF6: dimeric; determined by author and by software (PISA)
Molecular Components in 3NF6
Label Count Molecule
Proteins (2 molecules)
2
Integrase
Molecule annotation
Chemicals and Non-standard biopolymers (16 molecules)
1
4
SULFATE IONSULFATE ION
2
4
1,2-ETHANEDIOL1,2-ETHANEDIOL
3
2
CHLORIDE IONCHLORIDE ION
4
2
ACETIC ACIDACETIC ACID
5
4
5-[(2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid5-[(2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-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