The BioMolViz Project: Difference between revisions
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An '''assessment''' that can be used test if this learning objective has been met can explore protein-ligand interactions. An example of how this assessment may be described to the learner is provided below. | An '''assessment''' that can be used test if this learning objective has been met can explore protein-ligand interactions. An example of how this assessment may be described to the learner is provided below. | ||
'' | :''Given the structure of 5-methylthioribose 1-phosphate(MTRu-1-P) isomerase bound to MTRu-1-P (PDB ID: 2yvk chain A), use Jmol (or another molecular visualization tool such as Chimera or PyMOL) to identify the amino acids in the protein that interact with the ligand.'' | ||
'''Example Assessment Solution''' | |||
''Clicking on any of the green links in the following paragraph will show an example of how the learner's model may look at that stage of the process'' | |||
To show mastery, the learner will first focus on <scene name='86/865933/Unit_a/5'>subunit A of the complex</scene>, hiding subunit B for clarity. An <scene name='86/865933/Zoom_ligand_spacefill/3'>unobscured view of the ligand</scene> is obtained by rotating the macromolecule and zooming in. To display interactions, the learner will first replace the spacefilling representation of the ligand with a <scene name='86/865933/Zoom_ligand_stick/2'>stick representation</scene>. To view the interacting residues, the learner shows amino acid residues within 5Å of the active site <scene name='86/865933/Zoom_ligand_plus_as_stick/3'>as sticks and displays them with CPK coloring</scene>. For contrast, the learner colors the ligand magenta. In this view, water molecules within 5Å of the ligand are displayed as well. The view has gotten busy, so to focus in on the active site residues, the learner can <scene name='86/865933/As_no_cartoon/1'>hide the cartoon rendering of the protein</scene>, and then show the <scene name='86/865933/As_no_cartoon_with_labels/1'>active site residues with labels</scene>. Finding polar contacts to nearby residues is generally quite straightforward in most molecular visualization software programs. | To show mastery, the learner will first focus on <scene name='86/865933/Unit_a/5'>subunit A of the complex</scene>, hiding subunit B for clarity. An <scene name='86/865933/Zoom_ligand_spacefill/3'>unobscured view of the ligand</scene> is obtained by rotating the macromolecule and zooming in. To display interactions, the learner will first replace the spacefilling representation of the ligand with a <scene name='86/865933/Zoom_ligand_stick/2'>stick representation</scene>. To view the interacting residues, the learner shows amino acid residues within 5Å of the active site <scene name='86/865933/Zoom_ligand_plus_as_stick/3'>as sticks and displays them with CPK coloring</scene>. For contrast, the learner colors the ligand magenta. In this view, water molecules within 5Å of the ligand are displayed as well. The view has gotten busy, so to focus in on the active site residues, the learner can <scene name='86/865933/As_no_cartoon/1'>hide the cartoon rendering of the protein</scene>, and then show the <scene name='86/865933/As_no_cartoon_with_labels/1'>active site residues with labels</scene>. Finding polar contacts to nearby residues is generally quite straightforward in most molecular visualization software programs. | ||