Sandbox FIg 5b
From Proteopedia
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==Your Heading Here (maybe something like 'Structure')== | ==Your Heading Here (maybe something like 'Structure')== | ||
| - | <StructureSection load=' | + | <StructureSection load='' size='450' side='right' caption='Caption for this structure' scene='10/1072773/Xyz_off/1'> |
This is a default text for your page '''Sandbox FIg 5b'''. Click above on '''edit this page''' to modify. Be careful with the < and > signs. | This is a default text for your page '''Sandbox FIg 5b'''. Click above on '''edit this page''' to modify. Be careful with the < and > signs. | ||
You may include any references to papers as in: the use of JSmol in Proteopedia <ref>DOI 10.1002/ijch.201300024</ref> or to the article describing Jmol <ref>PMID:21638687</ref> to the rescue. | You may include any references to papers as in: the use of JSmol in Proteopedia <ref>DOI 10.1002/ijch.201300024</ref> or to the article describing Jmol <ref>PMID:21638687</ref> to the rescue. | ||
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== Disease == | == Disease == | ||
| + | <scene name='10/1072773/Xyz_off/1'>xyz_off</scene> | ||
| + | |||
| + | an <jmol> | ||
| + | <jmolButton> | ||
| + | <text>animation</text> | ||
| + | <script> | ||
| + | var a = [1,2,3,4,5]; | ||
| + | for(var i IN a) { | ||
| + | script /wiki/scripts/10/1063617/009_fig_metal_tcache_lab_png/2.spt; delay 0.5 | ||
| + | script /wiki/scripts/10/1063617/009_fig_apo_tcache_lab_png/2.spt; delay 0.5; | ||
| + | } | ||
| + | </script> | ||
| + | </jmolButton> | ||
| + | </jmol> between them. The stability of the 4D motif is attributed to adjacent positively charged residues (Lys325, Arg388, and Arg517), forming stabilizing salt bridges, leading to the newly named <scene name='10/1063617/009_figu_5b_png/3'>4A/3B motif</scene> (four acidic residues stabilized by three basic residues). | ||
| + | |||
| + | The study also identified additional metal-binding sites (His264 and His471 sites) in ''Tc''AChE through crystallographic analysis, but these appear to be weaker or crystallographic artifacts. Using metadynamics and molecular dynamics (MD) simulations with quantum potentials (QM/MM-MD), the binding strength of metal cations at the 4D site was compared to that of the 4D site in human fibrin-stabilizing factor (fXIIIa), which lacks stabilizing cationic residues. Results showed that while ''Tc''AChE’s 4A/3B motif maintains structural integrity upon metal binding/unbinding, the <scene name='10/1063617/009_figu_8a_png/2'>fXIIIa motif </scene> is stable in presence of a metal ion but <scene name='10/1063617/009_figu_8b_png/2'>explodes</scene> without a metal ions due to electrostatic repulsion. This is seen clearly in an | ||
| + | <jmol> | ||
| + | <jmolButton> | ||
| + | <text>animation</text> | ||
| + | <script> | ||
| + | var a = [1,2,3,4,5]; | ||
| + | for(var i IN a) { | ||
| + | script /wiki/scripts/10/1063617/009_figu_8a_png/2.spt; delay 0.5 | ||
| + | script /wiki/scripts/10/1063617/009_figu_8b_png/2.spt; delay 0.5; | ||
| + | } | ||
| + | </script> | ||
| + | </jmolButton> | ||
| + | </jmol> between these two states. | ||
== Relevance == | == Relevance == | ||
Current revision
Your Heading Here (maybe something like 'Structure')
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References
- ↑ Hanson, R. M., Prilusky, J., Renjian, Z., Nakane, T. and Sussman, J. L. (2013), JSmol and the Next-Generation Web-Based Representation of 3D Molecular Structure as Applied to Proteopedia. Isr. J. Chem., 53:207-216. doi:http://dx.doi.org/10.1002/ijch.201300024
- ↑ Herraez A. Biomolecules in the computer: Jmol to the rescue. Biochem Mol Biol Educ. 2006 Jul;34(4):255-61. doi: 10.1002/bmb.2006.494034042644. PMID:21638687 doi:10.1002/bmb.2006.494034042644
