2CHM
Crystal structure of N2 substituted pyrazolo pyrimidinones - a flipped binding mode in PDE5
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | CGMP-SPECIFIC 3', 5'-CYCLIC PHOSPHODIESTERASE, CAMP-SPECIFIC 3', 5'-CYCLIC PHOSPHODIESTERASE 4B | polymer | 326 | 37610.2 | 1 | UniProt (O76074) UniProt (Q07343) Pfam (PF00233) | HOMO SAPIENS (HUMAN) | 3', 5' CGMP-CYCLIC PHOPHODIESTERASE 5A CATALYTIC DOMAIN CHIMERA, CGB-PDE, CGMP-BINDING CGMP-SPECIFIC PHOSPHODIESTERASE, DPDE4, PDE32 |
| 2 | B (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 3 | C (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 4 | D (A) | 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-ONE | non-polymer | 437.5 | 1 | Chemie (3P4) | |||
| 5 | E (A) | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | non-polymer | 195.2 | 1 | Chemie (MES) | |||
| 6 | F (A) | water | water | 18.0 | 515 | Chemie (HOH) |
Sequence modifications
A: 534 - 656 (UniProt: O76074)
A: 682 - 858 (UniProt: O76074)
A: 657 - 681 (UniProt: Q07343)
A: 682 - 858 (UniProt: O76074)
| PDB | External Database | Details |
|---|---|---|
| Glu 751 | Gln 751 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 37610.2 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 722.5 | |
| All* | Total formula weight | 38332.7 |
