A DFT/CDM Study of Metal-Carboxylate Interactions in Metalloproteins: Factors Governing the Maximum Number of Metal-Bound Carboxylates.

The number of negatively charged metal-bound Asp/GIu residues determines the net charge of the carboxylate-rich metal-binding site, which has been found to play a role in enhancing the affinity and/or selectivity of a protein cavity for a given metal cofactor. Therefore, it is of interest to know th...

Descripción completa

Detalles Bibliográficos

Publicado en:	Journal of the American Chemical Society Vol. 128; no. 5; pp. 1533 - 1562
Autores principales:	Dudev, Todor, Lim, Carmay
Formato:	Artículo
Publicado:	American Chemical Society 2/8/2006
Materias:	Metalloproteins Organometallic compounds Density functionals Proteins Ligands (Chemistry) Coordination compounds
Acceso en línea:	Ver este registro en EBSCOhost