Dynamic allostery-based molecular workings of kinase:peptide complexes.

Ahuja, Lalima G; Aoto, Phillip C; Kornev, Alexandr P; Veglia, Gianluigi; Taylor, Susan S

Ahuja, Lalima G; Aoto, Phillip C; Kornev, Alexandr P; Veglia, Gianluigi; Taylor, Susan S.

Affiliation

Ahuja LG; Department of Pharmacology, University of California San Diego, La Jolla, CA 92093; lalima1312@gmail.com staylor@ucsd.edu.
Aoto PC; Department of Pharmacology, University of California San Diego, La Jolla, CA 92093.
Kornev AP; Department of Pharmacology, University of California San Diego, La Jolla, CA 92093.
Veglia G; Department of Chemistry, University of Minnesota, Minneapolis, MN 55455.
Taylor SS; Department of Biochemistry, Molecular Biology, and Biophysics, University of Minnesota, Minneapolis, MN 55455.

Proc Natl Acad Sci U S A ; 116(30): 15052-15061, 2019 07 23.

Article in En | MEDLINE | ID: mdl-31285328

Subject(s)

Adenosine Triphosphate/chemistry; Cyclic AMP-Dependent Protein Kinases/chemistry; Enzyme Inhibitors/chemistry; Magnesium/chemistry; Peptides/chemistry; Adenosine Triphosphate/metabolism; Allosteric Regulation; Allosteric Site; Amino Acid Sequence; Catalytic Domain; Cyclic AMP-Dependent Protein Kinases/metabolism; Enzyme Inhibitors/metabolism; Kinetics; Magnesium/metabolism; Molecular Dynamics Simulation; Peptides/metabolism; Protein Binding; Protein Conformation, alpha-Helical; Protein Conformation, beta-Strand; Protein Interaction Domains and Motifs; Protein Structure, Tertiary; Substrate Specificity; Thermodynamics

Key words

allostery; community maps; dynamics; protein kinase; violin model

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Full text: 1 Database: MEDLINE Main subject: Peptides / Adenosine Triphosphate / Cyclic AMP-Dependent Protein Kinases / Enzyme Inhibitors / Magnesium Language: En Journal: Proc Natl Acad Sci U S A Year: 2019 Type: Article

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