3IE3: Structural basis for the binding of the anti-cancer compound 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol (NBDHEX) to human glutathione S-transferases

PDB ID: 3IE3Download
MMDB ID: 77675
PDB Deposition Date: 2009/7/22
Updated in MMDB: 2011/12
Experimental Method:
x-ray diffraction
Resolution: 1.8  Å
Source Organism:
Similar Structures:
Biological Unit for 3IE3: dimeric; determined by author and by software (PISA)
Molecular Components in 3IE3
Label Count Molecule
Proteins (2 molecules)
2
Glutathione S-transferase P
(Gene symbol: GSTP1)
Molecule annotation
Chemicals and Non-standard biopolymers (6 molecules)
1
2
GLUTATHIONEGLUTATHIONE
2
2
6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol
3
2
2-(N-MORPHOLINO)-ETHANESULFONIC ACID2-(N-MORPHOLINO)-ETHANESULFONIC 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