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Interestingly the interface of Bcl-Xl is almost symmetric. There are <scene name='43/437742/2yxj_arg/7'>two positively charged residues</scene> Arg 100 and Arg 139.
Interestingly the interface of Bcl-Xl is almost symmetric. There are <scene name='43/437742/2yxj_arg/7'>two positively charged residues</scene> Arg 100 and Arg 139.
<scene name='43/437742/2yxj_glu/7'>two negatively charged residues</scene> Glu96 and Glu129.
<scene name='43/437742/2yxj_glu/7'>two negatively charged residues</scene> Glu96 and Glu129.
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Two <scene name='43/437742/2yxj_hyd/3'>hydrophobic patches</scene> which include Phe191 Val141 and
+
Two <scene name='43/437742/2yxj_hyd/2'>hydrophobic patches</scene> which include Phe191 Val141 and
Ala93 for one, and the other patch includes Phe146 Val126 and Leu108. A look at the <scene name='43/437742/2yxj_space_fill_color_charged/3'>Overall</scene> picture shows that there are hydrophobic patches (in gray) "above" and "below" the ligand ,negatively charged residues "above-right" and "below-left" of the ligand and positively charges on the "right" and "left" of it.
Ala93 for one, and the other patch includes Phe146 Val126 and Leu108. A look at the <scene name='43/437742/2yxj_space_fill_color_charged/3'>Overall</scene> picture shows that there are hydrophobic patches (in gray) "above" and "below" the ligand ,negatively charged residues "above-right" and "below-left" of the ligand and positively charges on the "right" and "left" of it.
This symmetry can be exploited, a symmetric molecule can bind the same interface in two different ways thus increasing the "chance" of binding which means better binding affinity.
This symmetry can be exploited, a symmetric molecule can bind the same interface in two different ways thus increasing the "chance" of binding which means better binding affinity.

Revision as of 18:54, 1 September 2013

Symmetry in the Bcl-Xl interface

Bcl-Xl and ABT737 from PDB-ID 2yxj

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