Hidden electrostatic basis of dynamic allostery in a PDZ domain

Proceedings of the National Academy of Sciences of the United States of America

Volumn 114, Issue 29, 2017, Pages E5825-E5834

  Kumawat, Amit ^a   Chakrabarty, Suman ^a,b  

^a NATIONAL CHEMICAL LABORATORY   (India)

^b NATIONAL INSTITUTE OF SCIENCE EDUCATION AND RESEARCH   (India)

Author keywords

Dynamic allostery; Electrostatic interactions; Molecular dynamics; PDZ domain; Population shift

Indexed keywords

PDZ3 DOMAIN PROTEIN; PEPTIDES AND PROTEINS; UNCLASSIFIED DRUG; CRIPT PROTEIN, RAT; LIGAND; PROTEIN; SIGNAL TRANSDUCING ADAPTOR PROTEIN;

ALLOSTERIC SITE; ALLOSTERISM; AMINO TERMINAL SEQUENCE; ARTICLE; BINDING SITE; CARBOXY TERMINAL SEQUENCE; CRYSTAL STRUCTURE; ENTHALPY; HYDROGEN BOND; LIGAND BINDING; MOLECULAR DYNAMICS; PDZ DOMAIN; PRIORITY JOURNAL; PROTEIN DOMAIN; PROTEIN PROTEIN INTERACTION; STATIC ELECTRICITY; CHEMISTRY; ENTROPY; METABOLISM; MOLECULAR MODEL;

ADAPTOR PROTEINS, SIGNAL TRANSDUCING; ALLOSTERIC REGULATION; BINDING SITES; ENTROPY; LIGANDS; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; PDZ DOMAINS; PROTEINS; STATIC ELECTRICITY;

EID: 85024408796     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.1705311114     Document Type: Article

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