1XHA
Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants
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, alpha-catalytic subunit | polymer | 350 | 40663.4 | 1 | UniProt (P00517) Pfam (PF00069) | Bos taurus (cattle) | Protein Kinase A, PKA C-alpha |
| 2 | B (B) | cAMP-dependent protein kinase inhibitor, alpha form | polymer | 20 | 2226.4 | 1 | UniProt (P61925) | synthetic construct | Protein Kinase Inhibitor Peptide; PKI-alpha; cAMP-dependent protein kinase inhibitor, muscle/brain isoform |
| 3 | C (A) | N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-3-YL}ISONICOTINAMIDE | non-polymer | 587.7 | 1 | Chemie (R68) | |||
| 4 | D, E (A, B) | water | water | 18.0 | 48 | Chemie (HOH) |
Sequence modifications
A: 1 - 350 (UniProt: P00517)
| PDB | External Database | Details |
|---|---|---|
| Glu 84 | Gln 84 | engineered mutation |
| Ala 123 | Val 123 | engineered mutation |
| Met 173 | Leu 173 | engineered mutation |
| Leu 187 | Phe 187 | engineered mutation |
| Tpo 197 | Thr 197 | modified residue |
| Sep 338 | Ser 338 | modified residue |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 42889.8 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 587.7 | |
| All* | Total formula weight | 43477.5 |
