Sandbox Reserved 1068: Difference between revisions
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'''Magnesium cation effect''' | '''Magnesium cation effect''' | ||
[[Image:Screen Shot 2015-04-25 at 11.08.58 PM.png |300 px|left|thumb|'''Table 1:''' pKa values of active site residues of MbtI with and without Magnesium. <ref name="8a"/> 2-11.]] The presence of the [http://en.wikipedia.org/wiki/Magnesium_in_biology magnesium ion] induces changes in the structure of the active site and in the substrate, as well as causes significant pKa shifts in some of the key residues involved in the catalytic activity (Table 1).The <scene name='69/694235/3rv6_mg_shell/4'>coordination shell</scene> of the magnesium cation in the active site of MbtI in [[3rv6]] with phenyl-AMT inhibitor bound is composed of two water molecules, Glu434, Glu294, and the two oxygen atoms of the C1 carboxylate group of chorismate. In the presence of the magnesium ion, the positively charged Lys295 is displaced from the active site and the negatively charged Glu297 is faced toward the active site. Magnesium cation also orients the C1 carboxylate group coplanar to the ring of chorismate, reducing the electron density on the C2 center and favoring nucleophilic attack<ref name= "8a">PMID:22307014</ref>. | [[Image:Screen Shot 2015-04-25 at 11.08.58 PM.png |300 px|left|thumb|'''Table 1:''' pKa values of active site residues of MbtI with and without Magnesium. <ref name="8a"/> 2-11.]] The presence of the [http://en.wikipedia.org/wiki/Magnesium_in_biology magnesium ion] induces changes in the structure of the active site and in the substrate, as well as causes significant pKa shifts in some of the key residues involved in the catalytic activity (Table 1).The <scene name='69/694235/3rv6_mg_shell/4'>coordination shell</scene> of the magnesium cation in the active site of MbtI in [[3rv6]] with phenyl-AMT inhibitor bound is composed of two water molecules, Glu434, Glu294, and the two oxygen atoms of the C1 carboxylate group of chorismate<ref name="5a"/>. In the presence of the magnesium ion, the positively charged Lys295 is displaced from the active site and the negatively charged Glu297 is faced toward the active site<ref name="5a"/><ref name="2a"/>. Magnesium cation also orients the C1 carboxylate group coplanar to the ring of chorismate, reducing the electron density on the C2 center and favoring nucleophilic attack<ref name= "8a">PMID:22307014</ref><ref name="5a"/><ref name="2a"/>. | ||