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1xci

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[[Image:1xci.gif|left|200px]]
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{{STRUCTURE_1xci| PDB=1xci | SCENE= }}
{{STRUCTURE_1xci| PDB=1xci | SCENE= }}
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'''Mispair Aligned N3T-Butyl-N3T Interstrand Crosslink'''
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===Mispair Aligned N3T-Butyl-N3T Interstrand Crosslink===
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==Overview==
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The introduction of a covalent interstrand cross-link induces changes in the intrinsic structure and deformability of the DNA helix that are recognized by elements of the DNA repair apparatus. In this context, the solution structure of the undecamer d(CGAAAT*TTTCG)2, where T* represents a N3T-butyl-N3T interstrand cross-link, was determined using molecular dynamics calculations restrained by NOE and dihedral angle data obtained from NMR spectroscopy. The structure of this cross-linked undecamer shows dramatic widening of the major groove of the B-DNA stem without disruption of Watson-Crick base pairing. This change in tertiary structure illustrates the cumulative effect of cooperativity in intrastrand base stacking of an A-tract of three adenines. Further, it is the direct result from the imposition of geometric angular constraints by the cross-link chain on an ApT* and T*pT steps in the segment AAAT*T. The widening of the major groove is due to the dominant contribution of base stacking to the stability of the ApT compared to the TpT step suggesting that the latter is more deformable within a DNA stem. Compared to earlier structures of ethyl cross-linked oligonucleotides, this unique perturbation induced by the butyl moiety offers a new probe for systematic studies of DNA repair mechanisms.
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(as it appears on PubMed at http://www.pubmed.gov), where 15953553 is the PubMed ID number.
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{{ABSTRACT_PUBMED_15953553}}
==About this Structure==
==About this Structure==
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Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1XCI OCA].
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Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1XCI OCA].
==Reference==
==Reference==
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[[Category: Double helix]]
[[Category: Double helix]]
[[Category: Interstrand cross-link]]
[[Category: Interstrand cross-link]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 14:51:19 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 29 05:19:26 2008''

Revision as of 02:19, 29 July 2008

Image:1xci.png

Template:STRUCTURE 1xci

Mispair Aligned N3T-Butyl-N3T Interstrand Crosslink

Template:ABSTRACT PUBMED 15953553

About this Structure

Full experimental information is available from OCA.

Reference

Intrastrand base-stacking buttresses widening of major groove in interstrand cross-linked B-DNA., da Silva MW, Bierbryer RG, Wilds CJ, Noronha AM, Colvin OM, Miller PS, Gamcsik MP, Bioorg Med Chem. 2005 Jul 15;13(14):4580-7. PMID:15953553

Page seeded by OCA on Tue Jul 29 05:19:26 2008

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