3TGG
A novel series of potent and selective PDE5 inhibitor2
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 | polymer | 326 | 37610.2 | 1 | UniProt (O76074) Pfam (PF00233) | Homo sapiens (human) | cGMP-binding cGMP-specific phosphodiesterase, CGB-PDE |
| 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) | 7-(6-methoxypyridin-3-yl)-4-{[2-(propan-2-yloxy)ethyl]amino}-1-(2-propoxyethyl)pyrido[4,3-d]pyrimidin-2(1H)-one | non-polymer | 441.5 | 1 | Chemie (0H3) | |||
| 5 | E (A) | water | water | 18.0 | 179 | Chemie (HOH) |
Sequence modifications
A: 534 - 858 (UniProt: O76074)
| PDB | External Database | Details |
|---|---|---|
| Pro 658 | Arg 658 | engineered mutation |
| Ser 661 | - | expression tag |
| Gln 663 | Asn 662 | engineered mutation |
| Phe 664 | Ser 663 | engineered mutation |
| Leu 665 | Tyr 664 | engineered mutation |
| Asn 667 | - | expression tag |
| Thr 668 | Gln 666 | engineered mutation |
| Asn 669 | Arg 667 | engineered mutation |
| - | His 670 | deletion |
| - | Pro 671 | deletion |
| Leu 674 | Gln 674 | engineered mutation |
| Met 675 | Leu 675 | engineered mutation |
| Asn 677 | - | expression tag |
| Asp 678 | Cys 677 | engineered mutation |
| Glu 679 | His 678 | engineered mutation |
| Val 681 | Ile 680 | engineered mutation |
| Leu 681 | Met 681 | engineered mutation |
| Glu 751 | Gln 751 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 37610.2 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 531.2 | |
| All* | Total formula weight | 38141.4 |
