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1kb1

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|PDB= 1kb1 |SIZE=350|CAPTION= <scene name='initialview01'>1kb1</scene>
|PDB= 1kb1 |SIZE=350|CAPTION= <scene name='initialview01'>1kb1</scene>
|SITE=
|SITE=
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|LIGAND=
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|LIGAND= <scene name='pdbligand=DA:2&#39;-DEOXYADENOSINE-5&#39;-MONOPHOSPHATE'>DA</scene>, <scene name='pdbligand=DC:2&#39;-DEOXYCYTIDINE-5&#39;-MONOPHOSPHATE'>DC</scene>, <scene name='pdbligand=DG:2&#39;-DEOXYGUANOSINE-5&#39;-MONOPHOSPHATE'>DG</scene>, <scene name='pdbligand=DT:THYMIDINE-5&#39;-MONOPHOSPHATE'>DT</scene>, <scene name='pdbligand=S6G:6-THIO-2&#39;-DEOXYGUANOSINE-5&#39;-MONOPHOSPHATE'>S6G</scene>
|ACTIVITY=
|ACTIVITY=
|GENE=
|GENE=
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|DOMAIN=
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|RELATEDENTRY=[[1kbm|1KBM]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1kb1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1kb1 OCA], [http://www.ebi.ac.uk/pdbsum/1kb1 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1kb1 RCSB]</span>
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[[Category: thiopurine]]
[[Category: thiopurine]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 12:15:01 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 21:45:53 2008''

Revision as of 18:45, 30 March 2008

Image:1kb1.gif


PDB ID 1kb1

Drag the structure with the mouse to rotate
Ligands: , , , ,
Related: 1KBM


Resources: FirstGlance, OCA, PDBsum, RCSB
Coordinates: save as pdb, mmCIF, xml



SOLUTION STRUCTURE OF AN 11-MER DNA DUPLEX CONTAINING 6-THIOGUANINE OPPOSITE CYTOSINE


Overview

The incorporation of 6-thioguanine (S6G) into DNA is an essential step in the cytotoxic activity of thiopurines. However, the structural effects of this substitution on duplex DNA have not been fully characterized. Here, we present the solution structures of DNA duplexes containing S6G opposite thymine (S6G.T) and opposite cytosine (S6G.C), solved by high-resolution NMR spectroscopy and restrained molecular dynamics. The data indicate that both duplexes adopt right-handed helical conformations with all Watson-Crick hydrogen bonding in place. The S6G.T structures exhibit a wobble-type base pairing at the lesion site, with thymine shifted toward the major groove and S6G displaced toward the minor groove. Aside from the lesion site, the helices, including the flanking base pairs, are not highly perturbed by the presence of the lesion. Surprisingly, thermal dependence experiments suggest greater stability in the S6G-T mismatch than the S6G-C base pair.

About this Structure

1KB1 is a Protein complex structure of sequences from [1]. Full crystallographic information is available from OCA.

Reference

Structural effect of the anticancer agent 6-thioguanine on duplex DNA., Bohon J, de los Santos CR, Nucleic Acids Res. 2003 Feb 15;31(4):1331-8. PMID:12582253

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