2h9k: Difference between revisions
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New page: left|200px<br /><applet load="2h9k" size="450" color="white" frame="true" align="right" spinBox="true" caption="2h9k, resolution 1.75Å" /> '''Structure of Hen egg... |
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[[Image:2h9k.gif|left|200px]]<br /><applet load="2h9k" size=" | [[Image:2h9k.gif|left|200px]]<br /><applet load="2h9k" size="350" color="white" frame="true" align="right" spinBox="true" | ||
caption="2h9k, resolution 1.75Å" /> | caption="2h9k, resolution 1.75Å" /> | ||
'''Structure of Hen egg white lysozyme soaked with Ni-cyclam'''<br /> | '''Structure of Hen egg white lysozyme soaked with Ni-cyclam'''<br /> | ||
==Overview== | ==Overview== | ||
Nickel(II)-xylylbicyclam is a potent anti-HIV agent and binds strongly to | Nickel(II)-xylylbicyclam is a potent anti-HIV agent and binds strongly to the CXCR4 co-receptor. We have investigated configurational equilibria of Ni(II)-cyclam derivatives, since these are important for receptor recognition. Crystallographic studies show that both trans and cis configurations are readily formed: [Ni(cyclam)(OAc)(2)] x H(2)O adopts the trans-III configuration with axial monodentate acetates, as does [Ni(benzylcyclam)(NO(3))(2)] with axial nitrate ligands, whereas [Ni(benzylcyclam)(OAc)](OAc)2 x H(2)O has an unusual folded cis-V configuration with Ni(II) coordination to bidentate acetate. UV/Vis and NMR studies show that the octahedral trans-III configuration slowly converts to square-planar trans-I in aqueous solution. For Ni(II)-xylylbicyclam, a mixture of cis-V and trans-I configurations was detected in solution. X-ray diffraction studies showed that crystals of lysozyme soaked in Ni(II)-cyclam or Ni(II) (2)-xylylbicyclam contain two major binding sites, one involving Ni(II) coordination to Asp101 and hydrophobic interactions between the cyclam ring and Trp62 and Trp63, and the second hydrophobic interactions with Trp123. For Ni(II)-cyclam bound to Asp101, the cis-V configuration predominates. | ||
==About this Structure== | ==About this Structure== | ||
2H9K is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Gallus_gallus Gallus gallus] with CL, NA and MM6 as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Lysozyme Lysozyme], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.17 3.2.1.17] Full crystallographic information is available from [http:// | 2H9K is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Gallus_gallus Gallus gallus] with <scene name='pdbligand=CL:'>CL</scene>, <scene name='pdbligand=NA:'>NA</scene> and <scene name='pdbligand=MM6:'>MM6</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Lysozyme Lysozyme], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.17 3.2.1.17] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2H9K OCA]. | ||
==Reference== | ==Reference== | ||
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[[Category: Lysozyme]] | [[Category: Lysozyme]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
[[Category: Hunter, T | [[Category: Hunter, T M.]] | ||
[[Category: McNae, I | [[Category: McNae, I W.]] | ||
[[Category: Sadler, P | [[Category: Sadler, P J.]] | ||
[[Category: Walkinshaw, M | [[Category: Walkinshaw, M D.]] | ||
[[Category: CL]] | [[Category: CL]] | ||
[[Category: MM6]] | [[Category: MM6]] | ||
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[[Category: lysozyme]] | [[Category: lysozyme]] | ||
''Page seeded by [http:// | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 17:39:33 2008'' | ||
