4IA0
Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | cGMP-specific 3',5'-cyclic phosphodiesterase | polymer | 347 | 40091.1 | 1 | UniProt (O76074) Pfam (PF00233) In PDB | Homo sapiens | cGMP-binding cGMP-specific phosphodiesterase, CGB-PDE |
2 | A | 5-bromo-2-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-octylpyrimidin-4(3H)-one | non-polymer | 569.6 | 1 | Chemie (5BB) | |||
3 | A | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
4 | A | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
5 | water | water | 18.0 | 71 | Chemie (HOH) |
Sequence modifications
A: 535 - 860 (UniProt: O76074)
PDB | External Database | Details |
---|---|---|
Met 514 | - | EXPRESSION TAG |
Gly 515 | - | EXPRESSION TAG |
Ser 516 | - | EXPRESSION TAG |
Ser 517 | - | EXPRESSION TAG |
His 518 | - | EXPRESSION TAG |
His 519 | - | EXPRESSION TAG |
His 520 | - | EXPRESSION TAG |
His 521 | - | EXPRESSION TAG |
His 522 | - | EXPRESSION TAG |
His 523 | - | EXPRESSION TAG |
Ser 524 | - | EXPRESSION TAG |
Ser 525 | - | EXPRESSION TAG |
Gly 526 | - | EXPRESSION TAG |
Leu 527 | - | EXPRESSION TAG |
Val 528 | - | EXPRESSION TAG |
Pro 529 | - | EXPRESSION TAG |
Arg 530 | - | EXPRESSION TAG |
Gly 531 | - | EXPRESSION TAG |
Ser 532 | - | EXPRESSION TAG |
His 533 | - | EXPRESSION TAG |
Met 534 | - | EXPRESSION TAG |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 40091.1 | |
Non-Polymers* | Number of molecules | 3 |
Total formula weight | 659.3 | |
All* | Total formula weight | 40750.4 |