2h9j

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[[Image:2h9j.gif|left|200px]]
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{{STRUCTURE_2h9j| PDB=2h9j | SCENE= }}
{{STRUCTURE_2h9j| PDB=2h9j | SCENE= }}
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'''Structure of Hen egg white lysozyme soaked with Ni2-Xylylbicyclam'''
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===Structure of Hen egg white lysozyme soaked with Ni2-Xylylbicyclam===
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==Overview==
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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.
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(as it appears on PubMed at http://www.pubmed.gov), where 17120266 is the PubMed ID number.
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{{ABSTRACT_PUBMED_17120266}}
==About this Structure==
==About this Structure==
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[[Category: Cyclam]]
[[Category: Cyclam]]
[[Category: Lysozyme]]
[[Category: Lysozyme]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 06:01:19 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 18:47:36 2008''

Revision as of 15:47, 28 July 2008

Image:2h9j.png

Template:STRUCTURE 2h9j

Structure of Hen egg white lysozyme soaked with Ni2-Xylylbicyclam

Template:ABSTRACT PUBMED 17120266

About this Structure

2H9J is a Single protein structure of sequence from Gallus gallus. Full crystallographic information is available from OCA.

Reference

Configurations of nickel-cyclam antiviral complexes and protein recognition., Hunter TM, McNae IW, Simpson DP, Smith AM, Moggach S, White F, Walkinshaw MD, Parsons S, Sadler PJ, Chemistry. 2007;13(1):40-50. PMID:17120266

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