Ontology highlight
ABSTRACT:
SUBMITTER: Cheng Y
PROVIDER: S-EPMC2242471 | biostudies-literature | 2006 Apr
REPOSITORIES: biostudies-literature
Protein science : a publication of the Protein Society 20060307 4
Phosphorylation mediates the function of many proteins and enzymes. In the catalytic subunit of cAMP-dependent protein kinase, phosphorylation of Thr 197 in the activation loop strongly influences its catalytic activity. In order to provide theoretical understanding about this important regulatory process, classical molecular dynamics simulations and ab initio QM/MM calculations have been carried out on the wild-type PKA-Mg(2) ATP-substrate complex and its dephosphorylated mutant, T197A. It was ...[more]