5LCU
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a S-methyl-piperazine substituted Fasudil-derivative (Ligand 01)
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) | 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE | non-polymer | 291.4 | 1 | Chemie (IQP) | |||
| 4 | D, E, F (A) | METHANOL | non-polymer | 32.0 | 3 | Chemie (MOH) | |||
| 5 | G (A) | (4S)-2-METHYL-2,4-PENTANEDIOL | non-polymer | 118.2 | 1 | Chemie (MPD) | |||
| 6 | H, I (A, B) | water | water | 18.0 | 399 | 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 | 5 |
| Total formula weight | 505.7 | |
| All* | Total formula weight | 43845.8 |
