1jtl: Difference between revisions

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[[Image:1jtl.gif|left|200px]]
{{Seed}}
[[Image:1jtl.png|left|200px]]


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{{STRUCTURE_1jtl|  PDB=1jtl  |  SCENE=  }}  
{{STRUCTURE_1jtl|  PDB=1jtl  |  SCENE=  }}  


'''The crystal structure of d(GGCCAATTGG) Complexed with Distamycin'''
===The crystal structure of d(GGCCAATTGG) Complexed with Distamycin===




==Overview==
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Single-crystal X-ray structure determinations of the complex between the minor-groove binder distamycin and d(GGCCAATTGG) reveal two 1 : 1 binding modes which differ in the orientation of the drug molecule in the minor groove. The two crystals were grown from different crystallization conditions and found to diffract to 2.38 and 1.85 A, respectively. The structures were refined to completion using SHELXL-93, resulting in a residual R factor of 20.30% for the 2.38-A resolution structure (including 46 water molecules) and 19.74% for the 1.85-A resolution structure (including 74 water molecules). In both orientations, bifurcated hydrogen bonds are formed between the amide nitrogen atoms of the drug and AT base pairs. With a binding site of at least five base pairs, close contacts between the terminal distamycin atoms and guanine amino groups are inevitable. The detailed nature of several of these interactions was further investigated by ab initio quantum chemical methods.
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{{ABSTRACT_PUBMED_12071949}}


==About this Structure==
==About this Structure==
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[[Category: Drug]]
[[Category: Drug]]
[[Category: Minor groove binding]]
[[Category: Minor groove binding]]
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 21:54:11 2008''
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 1 20:46:54 2008''

Revision as of 17:46, 1 July 2008

File:1jtl.png

Template:STRUCTURE 1jtl

The crystal structure of d(GGCCAATTGG) Complexed with Distamycin

Template:ABSTRACT PUBMED 12071949

About this Structure

Full crystallographic information is available from OCA.

Reference

Two 1 : 1 binding modes for distamycin in the minor groove of d(GGCCAATTGG)., Uytterhoeven K, Sponer J, Van Meervelt L, Eur J Biochem. 2002 Jun;269(12):2868-77. PMID:12071949

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