3QI3
Crystal structure of PDE9A(Q453E) in complex with inhibitor BAY73-6691
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | polymer | 533 | 61790.1 | 2 | UniProt (O76083) Pfam (PF00233) | Homo sapiens (human) | |
| 2 | C, F (A, B) | 1-(2-chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | non-polymer | 356.7 | 2 | Chemie (PDB) | |||
| 3 | D, G (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 4 | E, H (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 5 | I, J (A, B) | water | water | 18.0 | 23 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 533 (UniProt: O76083)
| PDB | External Database | Details |
|---|---|---|
| Glu 453 | Gln 453 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 123580.1 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 892.9 | |
| All* | Total formula weight | 124473.0 |
