1SVE
Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 1
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | cAMP-dependent protein kinase, alpha-catalytic subunit | polymer | 350 | 40786.4 | 1 | UniProt (P00517) Pfam (PF00069) In PDB | Bos taurus (cattle) | PKA C-alpha, PROTEIN KINASE A |
| 2 | B | cAMP-dependent protein kinase inhibitor, alpha form | polymer | 20 | 2226.4 | 1 | UniProt (P04541) UniProt (by SIFTS) (P61926) In PDB | PKI-alpha, cAMP-dependent protein kinase inhibitor, muscle/brain isoform | |
| 3 | A | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 4 | A | (4R)-4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZOIC ACID (3R)-3-[(PYRIDINE-4-CARBONYL)AMINO]-AZEPAN-4-YL ESTER | non-polymer | 507.5 | 1 | Chemie (I01) | |||
| 5 | A | N-OCTANOYL-N-METHYLGLUCAMINE | non-polymer | 321.4 | 1 | Chemie (MG8) | |||
| 6 | water | water | 18.0 | 98 | Chemie (HOH) |
Sequence modifications
A: 1 - 350 (UniProt: P00517)
| PDB | External Database | Details |
|---|---|---|
| Sep 10 | Ser 10 | MODIFIED RESIDUE |
| 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 | 43012.8 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 851.9 | |
| All* | Total formula weight | 43864.7 |
