Simulations of allosteric motions in the zinc sensor CzrA

Journal of the American Chemical Society

Volumn 134, Issue 7, 2012, Pages 3367-3376

  Chakravorty, Dhruva K ^a   Wang, Bing ^a   Lee, Chul Won ^b   Giedroc, David P ^b   Merz, Kenneth M ^a  

^a University of Florida   (United States)

^b INDIANA UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALLOSTERIC COUPLING; ALLOSTERIC REGULATION; BOUND STATE; CELLULAR METAL; CLASSICAL MOLECULAR DYNAMICS; CONFORMATIONAL SPACE; DNA BINDING; DNA BINDING AFFINITY; DNA BINDING SITE; DRIVING FORCES; ELECTROSTATIC SURFACES; ESSENTIAL DYNAMICS; HYDROGEN BONDINGS; METAL BINDING; METAL BINDING SITES; METAL ION BINDING; METAL-BINDING RESIDUES; MODEL SYSTEM; MOLECULAR BASIS; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR-LEVEL INSIGHTS; ORDERS OF MAGNITUDE; PROTEIN MOTION; QUANTUM MECHANICAL/MOLECULAR MECHANICAL; STAPHYLOCOCCUS AUREUS; STRUCTURAL CHANGE; TRANSCRIPTIONAL REPRESSORS; ZINC BINDING;

BACTERIA; BINDING ENERGY; COMPUTER SIMULATION; HYDROGEN; METAL IONS; METALS; MOLECULAR DYNAMICS; MOLECULAR MODELING; SENSORS; ZINC COMPOUNDS;

ZINC;

BACTERIAL DNA; STAPHYLOCOCCUS AUREUS CZRA; UNCLASSIFIED DRUG; ZINC DERIVATIVE;

ALLOSTERISM; ARTICLE; BINDING AFFINITY; BINDING SITE; CHEMICAL STRUCTURE; CONFORMATION; DNA BINDING; ENERGY; HYDROGEN BOND; MOLECULAR DYNAMICS; NONHUMAN;

ALLOSTERIC REGULATION; BACTERIAL PROTEINS; DNA, BACTERIAL; DNA-BINDING PROTEINS; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN MULTIMERIZATION; STAPHYLOCOCCUS AUREUS; THERMODYNAMICS; ZINC;

EID: 84863115854     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja208047b     Document Type: Article

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