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Sandbox ggc6

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== Function ==
== Function ==
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One of nine known FABP, members of the superfamily of lipid-binding proteins, that are believed to be involved in fatty acid uptake, transport, and metabolism.
One of nine known FABP, members of the superfamily of lipid-binding proteins, that are believed to be involved in fatty acid uptake, transport, and metabolism.
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== Relevance ==
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== Structure ==
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In order to develop potent and selective focal adhesion kinase (FAK) inhibitors, studies on pyrazolo[4,3-c][2,1]benzothiazines targeted for the FAK allosteric site were carried out <ref>DOI 10.1016/j.bmcl.2013.01.047</ref>. This compound potentially possess two different binding modes: allosteric binding and hinge binding, and this hypothesis was also supported by the fact that FAK inhibitory potential of compound 22 under the high concentration of ATP was much weaker. The purpose was to facilitate pure allosteric inhibition of FAK by targeting the FAK allosteric site, demonstrating a potential of FAK allosteric inhibitors as antitumor agents. Kinase activity of FAK were selectively inhibited without affecting other kinases and the compound possessed significant FAK kinase inhibitory activities in cell free and cellular assays <ref>DOI 10.1002/ijch.201300024</ref>. Phosphorylation of proteins by kinases is important in communicating signals within a cell and regulating cellular activity, such as cell division <ref> en.wikipedia.org/wiki/tyrosine_kinase </ref>. testing some testy shit
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Between the different know FABP the amino acid sequence varies widely but the three dimensional sequence is heavily conserved. <scene name='75/752265/Secondary_structures/1'>Secondary structures</scene>: It consist of ten antiparallel β strands and two short α helices. The ten antiparallel β strands are
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arranged into two nearly orthogonal 5-stranded β sheets that surround the interior binding cavity.
== Structural highlights ==
== Structural highlights ==
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. This scene shows the entire 4I4E structure of the PtK2 cell, showing alpha helix structure, beta sheets, and the backbone of the structure. When zooming in, the scene then shows how the compound of pyrazolo[4,3-c][2,1]benzothiazine inhibits the FAK allosteric site. The CPK ligand (compound 22) forms direct and/or water-mediated hydrogen bonds with Glu506, Ser509, and Arg514. These three sites are shown and labeled within the structure. The water mediated Hydrogen bond formed with Glu506 is also shown within the structure .
 
Color Key:
Color Key:
Cyan-Alpha Helix;
Cyan-Alpha Helix;

Revision as of 00:35, 23 April 2018

CRYSTAL STRUCTURE OF HUMAN BRAIN FATTY ACID BINDING PROTEIN OLEIC ACID

Insert caption here

Drag the structure with the mouse to rotate

You may include any references to papers as in: the use of JSmol in Proteopedia [1] or to the article describing Jmol [2] to the rescue.

Contents

Function

One of nine known FABP, members of the superfamily of lipid-binding proteins, that are believed to be involved in fatty acid uptake, transport, and metabolism.

Structure

Between the different know FABP the amino acid sequence varies widely but the three dimensional sequence is heavily conserved. : It consist of ten antiparallel β strands and two short α helices. The ten antiparallel β strands are arranged into two nearly orthogonal 5-stranded β sheets that surround the interior binding cavity.

Structural highlights

Color Key: Cyan-Alpha Helix; Magenta-Beta Sheet; Yellow-Arg 514; Lime Green-All Glutamate; Dark Blue-Backbone/Main Chain; Maroon-All Lys; Black-Ser509; Orange-Cys502. The N-free pyrazole of 22 interacts with Glu500 and Cys502 in the hinge region by two hydrogen bonds [3]. . </StructureSection>

References

  1. ↑ 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
  2. ↑ 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
  3. ↑ Tomita N, Hayashi Y, Suzuki S, Oomori Y, Aramaki Y, Matsushita Y, Iwatani M, Iwata H, Okabe A, Awazu Y, Isono O, Skene RJ, Hosfield DJ, Miki H, Kawamoto T, Hori A, Baba A. Structure-based discovery of cellular-active allosteric inhibitors of FAK. Bioorg Med Chem Lett. 2013 Mar 15;23(6):1779-85. doi: 10.1016/j.bmcl.2013.01.047., Epub 2013 Jan 26. PMID:23414845 doi:http://dx.doi.org/10.1016/j.bmcl.2013.01.047
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