Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis

Biochemistry

Volumn 51, Issue 24, 2012, Pages 4868-4879

  Chi, Gamma ^a   Manos Turvey, Alexandra ^b   O'Connor, Patrick D ^c   Johnston, Jodie M ^a   Evans, Genevieve L ^a   Baker, Edward N ^a   Payne, Richard J ^b   Lott, J Shaun ^a   Bulloch, Esther M M ^a  

^a UNIVERSITY OF AUCKLAND   (New Zealand)

^b UNIVERSITY OF SYDNEY   (Australia)

^c UNIVERSITY OF AUCKLAND   (New Zealand)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE SITE; AROMATIC INHIBITORS; BINDING MODES; CHELATING COMPOUND; CHEMICAL EQUATIONS; COCRYSTAL STRUCTURE; COMPUTATIONAL STUDIES; HYDROPHOBIC SUBSTITUENTS; INHIBITION CONSTANTS; METHYL GROUP; MYCOBACTERIUM TUBERCULOSIS; PEPTIDE BACKBONES; PHENYL GROUP; SALICYLATE SYNTHASE; TERMINAL ALKENES; THERMAL SHIFT;

ENZYMES; FUNCTIONAL GROUPS; OLEFINS; TUBES (COMPONENTS);

BINDING ENERGY;

ALKENE DERIVATIVE; BACTERIAL ENZYME; CHORISMIC ACID; ENZYME INHIBITOR; HYDROXYBENZOIC ACID; METHYL GROUP; PHENYL GROUP; PROTEIN MBT1; SALICYLIC ACID; SYNTHETASE; UNCLASSIFIED DRUG;

ANIMAL CELL; ARTICLE; BINDING AFFINITY; CHEMICAL REACTION; CONTROLLED STUDY; CRYSTAL STRUCTURE; DRUG POTENCY; ENZYME ACTIVE SITE; ENZYME ASSAY; FLUORESCENCE ANALYSIS; HYDROPHOBICITY; MYCOBACTERIUM TUBERCULOSIS; NONHUMAN; PRIORITY JOURNAL; PROTEIN BINDING;

CATALYTIC DOMAIN; CHORISMIC ACID; CRYSTALLOGRAPHY, X-RAY; ENZYME INHIBITORS; LYASES; MODELS, MOLECULAR; MYCOBACTERIUM TUBERCULOSIS; PROTEIN BINDING; PYRUVATES; SOLUTIONS; TEMPERATURE;

EID: 84862512023     PISSN: 00062960     EISSN: 15204995     Source Type: Journal    
DOI: 10.1021/bi3002067     Document Type: Article

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