2VO0
Structure of PKA-PKB chimera complexed with C-(4-(4-Chlorophenyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methylamine
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 SUBUNITPROTE | polymer | 351 | 40910.6 | 1 | UniProt (P00517) Pfam (PF00069) | BOS TAURUS (BOVINE) | PROTEIN KINASE A, PKA C-ALPHA |
| 2 | B (I) | CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA | polymer | 20 | 2226.4 | 1 | UniProt (P61925) | HOMO SAPIENS | PKI, PKI-ALPHA, CAMP- DEPENDENT PROTEIN KINASE INHIBITOR, MUSCLE/BRAIN ISOFORM |
| 3 | C (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 4 | D (A) | (4R)-2-METHYLPENTANE-2,4-DIOL | non-polymer | 118.2 | 1 | Chemie (MRD) | |||
| 5 | E, H (A, I) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
| 6 | F, G (A) | 1-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine | non-polymer | 341.8 | 2 | Chemie (M03) | |||
| 7 | I, J (A, I) | water | water | 18.0 | 491 | Chemie (HOH) |
Sequence modifications
A: 0 - 350 (UniProt: P00517)
| PDB | External Database | Details |
|---|---|---|
| Thr 104 | Val 105 | engineered mutation |
| Ala 123 | Val 124 | engineered mutation |
| Met 173 | Leu 174 | engineered mutation |
| Lys 181 | Gln 182 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 43137.0 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 961.4 | |
| All* | Total formula weight | 44098.4 |
