6YQJ
Crystal structure of cAMP-dependent Protein Kinase (PKA) in complex with open-chain Fasudil-derivative 2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium (soaked)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | cAMP-dependent protein kinase catalytic subunit alpha | polymer | 353 | 41193.7 | 1 | UniProt (P25321) | Cricetulus griseus (Chinese hamster) | PKA C-alpha |
| 2 | B (B) | cAMP-dependent protein kinase inhibitor alpha | polymer | 19 | 1993.3 | 1 | UniProt (P63248) | Mus musculus | PKI-alpha,cAMP-dependent protein kinase inhibitor,muscle/brain isoform |
| 3 | C (A) | 2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium | non-polymer | 294.4 | 1 | Chemie (6TX) | |||
| 4 | D, E (A, B) | water | water | 18.0 | 342 | Chemie (HOH) |
Sequence modifications
A: 0 - 350 (UniProt: P25321)
B: 11 - 29 (UniProt: P63248)
| PDB | External Database | Details |
|---|---|---|
| Gly -2 | - | expression tag |
| His -1 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Ala 13 | Ser 14 | conflict |
| Gln 20 | Asn 21 | conflict |
| Ala 28 | Ser 29 | conflict |
| Ala 29 | Ser 30 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 43187.1 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 294.4 | |
| All* | Total formula weight | 43481.5 |
