Role of Mg2+ ions in protein kinase phosphorylation: Insights from molecular dynamics simulations of ATP-kinase complexes

Molecular Simulation

Volumn 37, Issue 14, 2011, Pages 1143-1150

  Yu, Lu ^a   Xu, Lizhe ^a,b   Xu, Min ^a   Wan, Bo ^a   Yu, Long ^a   Huang, Qiang ^a  

^a FUDAN UNIVERSITY   (China)

^b PURDUE UNIVERSITY   (United States)

Author keywords

Atp binding affinity; Magnesium ion; Molecular dynamics; Phosphorylation; Protein kinase

Indexed keywords

ACTIVE SITE; ATP-BINDING; BINDING AFFINITIES; MOLECULAR DYNAMICS SIMULATIONS; PHOSPHATE GROUP; PHOSPHORYL TRANSFER; PROTEIN KINASE; PROTEIN PHOSPHORYLATION; SIDE-CHAINS; TRANSITION STATE; TYROSINE RESIDUES;

ADENOSINETRIPHOSPHATE; AMINO ACIDS; BINDING ENERGY; BINDING SITES; DYNAMICS; ENZYMES; MAGNESIUM; METAL IONS; PHOSPHORYLATION; PROTEINS; REACTION KINETICS; SIGNAL TRANSDUCTION;

MOLECULAR DYNAMICS;

EID: 81255169335     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927022.2011.561430     Document Type: Article

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