1z8v

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{{STRUCTURE_1z8v| PDB=1z8v | SCENE= }}
{{STRUCTURE_1z8v| PDB=1z8v | SCENE= }}
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'''The Structure of d(GGCCAATTGG) Complexed with Netropsin'''
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===The Structure of d(GGCCAATTGG) Complexed with Netropsin===
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==Overview==
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The structure of the complex between the minor groove binder netropsin and d(GGCCAATTGG) was determined via single-crystal X-ray techniques. The structure was refined to completion using refmac5.1.24, resulting in a residual R-factor of 20.0% (including 68 water molecules). Using crystal engineering and cryocooling techniques, the resolution could be enhanced to 1.75 A, resulting in an unambiguous determination of the drug conformation and orientation. As previously noticed, bifurcated hydrogen bonds are formed between the amide nitrogen atoms of the drug and the N3 and O2 atoms of A and T base pairs, respectively, clearly cataloging the structure to class I. As the bulky NH2 group on guanine was believed to prevent binding of the drug in the minor groove, the detailed nature of several of the amidinium and guanidinium end contacts were further investigated by ab initio quantum chemical methods.
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The line below this paragraph, {{ABSTRACT_PUBMED_16008554}}, adds the Publication Abstract to the page
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(as it appears on PubMed at http://www.pubmed.gov), where 16008554 is the PubMed ID number.
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{{ABSTRACT_PUBMED_16008554}}
==About this Structure==
==About this Structure==
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[[Category: Minor groove binder]]
[[Category: Minor groove binder]]
[[Category: Netropsin]]
[[Category: Netropsin]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 17:19:28 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Jul 27 18:44:07 2008''

Revision as of 15:44, 27 July 2008

Image:1z8v.png

Template:STRUCTURE 1z8v

The Structure of d(GGCCAATTGG) Complexed with Netropsin

Template:ABSTRACT PUBMED 16008554

About this Structure

Full crystallographic information is available from OCA.

Reference

Netropsin interactions in the minor groove of d(GGCCAATTGG) studied by a combination of resolution enhancement and ab initio calculations., Van Hecke K, Nam PC, Nguyen MT, Van Meervelt L, FEBS J. 2005 Jul;272(14):3531-41. PMID:16008554

Page seeded by OCA on Sun Jul 27 18:44:07 2008

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