Displacement of disordered water molecules from hydrophobic pocket creates enthalpic signature: Binding of phosphonamidate to the S1'-pocket of thermolysin

Biochimica et Biophysica Acta - General Subjects

Volumn 1800, Issue 11, 2010, Pages 1192-1202

  Englert, L ^a   Biela, A ^a   Zayed, M ^b   Heine, A ^a   Hangauer, D ^b   Klebe, G ^a  

^a PHILIPPS UNIVERSITY MARBURG   (Germany)

^b UNIVERSITY AT BUFFALO   (United States)

Author keywords

Biomolecular recognition; Crystal structure analysis; Protein ligand interaction; Replacement of active site waters; Thermodynamic signature; Thermolysin

Indexed keywords

ARGININE; ASPARAGINE; GLUTAMIC ACID; GLYCINE; ISOLEUCINE; LEUCINE; PHOSPHONAMIDATE; PROTEIN INHIBITOR; THERMOLYSIN; TYROSINE; UNCLASSIFIED DRUG; WATER;

ARTICLE; BINDING AFFINITY; BINDING KINETICS; CONTROLLED STUDY; CRYSTAL STRUCTURE; DRUG STRUCTURE; ENERGY TRANSFER; ENTHALPY; ENTROPY; HYDROGEN BOND; HYDROPHOBICITY; ISOTHERMAL TITRATION CALORIMETRY; LIGAND BINDING; PRIORITY JOURNAL; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

BINDING SITES; CRYSTALLOGRAPHY, X-RAY; ENTROPY; HYDROPHOBICITY; MODELS, MOLECULAR; ORGANOPHOSPHORUS COMPOUNDS; PHOSPHOAMINO ACIDS; PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY; THERMODYNAMICS; THERMOLYSIN; WATER;

EID: 77956268336     PISSN: 03044165     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bbagen.2010.06.009     Document Type: Article

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