5M0B
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a short-chained N-(2-aminoethyl)isoquinoline-5-sulfonamide) Fasudil-derivative (Ligand 03)
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 | 41113.8 | 1 | UniProt (P25321) Pfam (PF00069) | Cricetulus griseus (Chinese hamster) | PKA C-alpha |
| 2 | B (B) | cAMP-dependent protein kinase inhibitor alpha | polymer | 20 | 2226.4 | 1 | UniProt (P61925) | Homo sapiens | PKI-alpha,cAMP-dependent protein kinase inhibitor,muscle/brain isoform |
| 3 | C (A) | N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE | non-polymer | 251.3 | 1 | Chemie (IQU) | |||
| 4 | D (A) | (4S)-2-METHYL-2,4-PENTANEDIOL | non-polymer | 118.2 | 1 | Chemie (MPD) | |||
| 5 | E, F (A, B) | METHANOL | non-polymer | 32.0 | 2 | Chemie (MOH) | |||
| 6 | G, H (A, B) | water | water | 18.0 | 505 | Chemie (HOH) |
Sequence modifications
A: 0 - 350 (UniProt: P25321)
| PDB | External Database | Details |
|---|---|---|
| Gly -2 | - | expression tag |
| His -1 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 43340.2 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 433.6 | |
| All* | Total formula weight | 43773.7 |
