3HR1
Discovery of novel inhibitors of PDE10A
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | polymer | 380 | 43666.0 | 1 | UniProt (Q9QYJ6) Pfam (PF00233) In PDB | Rattus norvegicus (rat) | |
2 | A | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
3 | A | 2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline | non-polymer | 392.5 | 1 | Chemie (PF9) | |||
4 | A | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
5 | A | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
6 | water | water | 18.0 | 456 | Chemie (HOH) |
Sequence modifications
A: 442 - 784 (UniProt: Q9QYJ6)
PDB | External Database | Details |
---|---|---|
Met 405 | - | expression tag |
His 406 | - | expression tag |
His 407 | - | expression tag |
His 408 | - | expression tag |
His 409 | - | expression tag |
His 410 | - | expression tag |
His 411 | - | expression tag |
Ser 412 | - | expression tag |
Ser 413 | - | expression tag |
Gly 414 | - | expression tag |
Leu 415 | - | expression tag |
Val 416 | - | expression tag |
Pro 417 | - | expression tag |
Arg 418 | - | expression tag |
Gly 419 | - | expression tag |
Ser 420 | - | expression tag |
Ala 421 | - | expression tag |
Met 422 | - | expression tag |
Met 423 | - | expression tag |
His 424 | - | expression tag |
His 425 | - | expression tag |
His 426 | - | expression tag |
His 427 | - | expression tag |
His 428 | - | expression tag |
His 429 | - | expression tag |
Ser 430 | - | expression tag |
Ser 431 | - | expression tag |
Gly 432 | - | expression tag |
Leu 433 | - | expression tag |
Val 434 | - | expression tag |
Pro 435 | - | expression tag |
Arg 436 | - | expression tag |
Gly 437 | - | expression tag |
Ser 438 | - | expression tag |
Ala 439 | - | expression tag |
Met 440 | - | expression tag |
Gly 441 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 43666.0 | |
Non-Polymers* | Number of molecules | 5 |
Total formula weight | 674.3 | |
All* | Total formula weight | 44340.3 |