Sandbox16: Difference between revisions
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Protein: human Beta secretase complexed with inhibitor (1tqf) | {{STRUCTURE_1tqf | PDB=1tqf | SCENE= }} | ||
===Protein: human Beta secretase complexed with inhibitor (1tqf)=== | |||
By Amit Shavit and Nikola Finneran | By Amit Shavit and Nikola Finneran | ||
<br> | |||
==Protein== | ==Protein== | ||
A small molecule nonpeptide inhibitor of beta-secretase has been developed, and its binding has been defined through crystallographic determination of the enzyme-inhibitor complex. The molecule is shown to bind to the catalytic aspartate residues in an unprecedented manner in the field of aspartyl protease inhibition. Additionally, the complex reveals a heretofore unknown S(3) subpocket that is created by the inhibitor. This structure has served an important role in the design of newer beta-secretase inhibitors. (http://www.proteopedia.org/wiki/index.php/1tqf) | A small molecule nonpeptide inhibitor of beta-secretase has been developed, and its binding has been defined through crystallographic determination of the enzyme-inhibitor complex. The molecule is shown to bind to the catalytic aspartate residues in an unprecedented manner in the field of aspartyl protease inhibition. Additionally, the complex reveals a heretofore unknown S(3) subpocket that is created by the inhibitor. This structure has served an important role in the design of newer beta-secretase inhibitors. (http://www.proteopedia.org/wiki/index.php/1tqf) | ||
==Structure== | ==Structure== | ||
Our protein is mostly composed of <scene name='Sandbox16/Mynewscene/1'>alpha helices</scene> (shown in red) and <scene name='Sandbox16/Mynewscene1/1'>beta sheets</scene> (shown in blue) which contain some of the <scene name='Sandbox16/Mynewscene2/1'>hydrophobic regions</scene> (shown in purple). The <scene name='Sandbox16/ | Our protein is mostly composed of <scene name='Sandbox16/Mynewscene/1'>alpha helices</scene> (shown in red) and <scene name='Sandbox16/Mynewscene1/1'>beta sheets</scene> (shown in blue) which contain some of the <scene name='Sandbox16/Mynewscene2/1'>hydrophobic regions</scene> (shown in purple). The <scene name='Sandbox16/Mynewscene4/1'>ligand</scene> in the center is highlighted in yellow. | ||
==References== | ==References== | ||
