3AMB
Protein kinase A sixfold mutant model of Aurora B with inhibitor VX-680
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 | 351 | 40856.5 | 1 | UniProt (P17612) Pfam (PF00069) | Homo sapiens (human) | PKA, PKA C-alpha |
| 2 | B (B) | 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) | CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE | non-polymer | 464.6 | 1 | Chemie (VX6) | |||
| 4 | D, E (A, B) | water | water | 18.0 | 71 | Chemie (HOH) |
Sequence modifications
A: 0 - 350 (UniProt: P17612)
| PDB | External Database | Details |
|---|---|---|
| Arg 47 | Lys 48 | engineered mutation |
| Gln 95 | Leu 96 | engineered mutation |
| Leu 120 | Met 121 | engineered mutation |
| Ala 123 | Val 124 | engineered mutation |
| Lys 181 | Gln 182 | engineered mutation |
| Ala 183 | Thr 184 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 43082.9 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 464.6 | |
| All* | Total formula weight | 43547.5 |
