2CHM: Crystal structure of N2 substituted pyrazolo pyrimidinones - a flipped binding mode in PDE5

PDB ID: 2CHMDownload
MMDB ID: 39645
PDB Deposition Date: 2006/3/15
Updated in MMDB: 2021/10
Experimental Method:
x-ray diffraction
Resolution: 1.6  Å
Source Organism:
Similar Structures:
Biological Unit for 2CHM: monomeric; determined by author and by software (PQS)
Molecular Components in 2CHM
Label Count Molecule
Protein (1 molecule)
1
Cgmp-specific 3', 5'-cyclic Phosphodiesterase, Camp-specific 3', 5'-cyclic Phosphodiesterase 4B
(Gene symbol: PDE5A)
Molecule annotation
Chemicals and Non-standard biopolymers (4 molecules)
1
1
ZINC IONZINC ION
2
1
MAGNESIUM IONMAGNESIUM ION
3
1
5-[2-(BUT-3-EN-1-YLOXY)-5-(1-HYDROXYVINYL)PYRIDIN-3-YL]-3-ETHYL-2-(1-ETHYLAZETIDIN-3-YL)-1,2,6,7A-TETRAHYDRO-7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE5-[2-(BUT-3-EN-1-YLOXY)-5-(1-HYDROXYVINYL)PYRIDIN-3-YL]-3-ETHYL-2-(1-ETHYLAZETIDIN-3-YL)-1,2,6,7A-TETRAHYDRO-7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE
4
1
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