3HB5: Binary and ternary crystal structures of a novel inhibitor of 17 beta-HSD type 1: a lead compound for breast cancer therapy

PDB ID: 3HB5Download
MMDB ID: 78741
PDB Deposition Date: 2009/5/4
Updated in MMDB: 2009/12
Experimental Method:
x-ray diffraction
Resolution: 2  Å
Source Organism:
Similar Structures:
Biological Unit for 3HB5: dimeric; determined by author and by software (PISA)
Molecular Components in 3HB5
Label Count Molecule
Proteins (2 molecules)
2
Estradiol 17-beta-dehydrogenase 1
(Gene symbol: HSD17B1)
Molecule annotation
Chemicals and Non-standard biopolymers (4 molecules)
1
2
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATENADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
2
2
3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide
* 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