4I9Z: Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors

PDB ID: 4I9ZDownload
MMDB ID: 116361
PDB Deposition Date: 2012/12/5
Updated in MMDB: 2023/11
Experimental Method:
x-ray diffraction
Resolution: 2.08  Å
Source Organism:
Similar Structures:
Biological Unit for 4I9Z: monomeric; determined by author and by software (PISA)
Molecular Components in 4I9Z
Label Count Molecule
Protein (1 molecule)
1
Cgmp-specific 3',5'-cyclic Phosphodiesterase
(Gene symbol: PDE5A)
Molecule annotation
Chemicals and Non-standard biopolymers (5 molecules)
1
1
5-bromo-2-{5-[(4-methylpiperazin-1-yl)acetyl]-2-propoxyphenyl}-6-(propan-2-yl)pyrimidin-4(3H)-one5-bromo-2-{5-[(4-methylpiperazin-1-yl)acetyl]-2-propoxyphenyl}-6-(propan-2-yl)pyrimidin-4(3H)-one
2
1
ZINC IONZINC ION
3
1
MAGNESIUM IONMAGNESIUM ION
4
2
DI(HYDROXYETHYL)ETHERDI(HYDROXYETHYL)ETHER
* 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