Electronic properties and desolvation penalties of metal ions plus protein electrostatics dictate the metal binding affinity and selectivity in the copper efflux regulator

Journal of the American Chemical Society

Volumn 132, Issue 51, 2010, Pages 18092-18102

  Rao, Li ^a,c   Cui, Qiang ^b   Xu, Xin ^a,c  

^a XIAMEN UNIVERSITY   (China)

^b UNIVERSITY OF WISCONSIN MADISON   (United States)

^c FUDAN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING AFFINITIES; COINAGE METALS; COMPUTATIONAL FRAMEWORK; DESOLVATION; DIVALENT IONS; ELECTROSTATIC ENVIRONMENTS; INTRINSIC PROPERTY; METAL BINDING AFFINITY; METAL BINDING PROPERTIES; METALLO-PROTEINS; POISSON-BOLTZMANN APPROACH; QUANTUM MECHANICAL/MOLECULAR MECHANICAL; RELATIVE BINDING AFFINITY; TRANSITION-METAL BINDING; WATER MOLECULE;

BINDING ENERGY; ELECTRONIC PROPERTIES; ELECTROSTATICS; MERCURY (METAL); METAL IONS; METALS; PROTEINS; ZINC;

METAL ANALYSIS;

COPPER ION; GOLD; MERCURY; METAL ION; METALLOPROTEIN; SILVER; ZINC ION;

ARTICLE; BINDING AFFINITY; CHEMICAL REACTION; DESOLVATION; METAL BINDING; MOLECULAR MODEL; QUANTUM MECHANICS; STATIC ELECTRICITY;

BACTERIAL PROTEINS; CATALYTIC DOMAIN; COPPER; CRYSTALLOGRAPHY, X-RAY; DNA-BINDING PROTEINS; METALLOPROTEINS; MODELS, CHEMICAL; PROTEIN CONFORMATION; SUBSTRATE SPECIFICITY;

EID: 78650602783     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja103742k     Document Type: Article

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