459d: Difference between revisions
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[[Image:459d.gif|left|200px]] | [[Image:459d.gif|left|200px]] | ||
'''DNA MINOR-GROOVE RECOGNITION OF A TRIS-BENZIMIDAZOLE DRUG''' | {{Structure | ||
|PDB= 459d |SIZE=350|CAPTION= <scene name='initialview01'>459d</scene>, resolution 2.3Å | |||
|SITE= | |||
|LIGAND= <scene name='pdbligand=TBZ:2''-(4-METHOXYPHENYL)-5-(3-AMINO-1-PYRROLIDINYL)-2,5',2',5''-TRI-BENZIMIDAZOLE'>TBZ</scene> | |||
|ACTIVITY= | |||
|GENE= | |||
}} | |||
'''DNA MINOR-GROOVE RECOGNITION OF A TRIS-BENZIMIDAZOLE DRUG''' | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
459D is a [ | 459D is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/ ]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=459D OCA]. | ||
==Reference== | ==Reference== | ||
DNA minor groove recognition of a non-self-complementary AT-rich sequence by a tris-benzimidazole ligand., Aymami J, Nunn CM, Neidle S, Nucleic Acids Res. 1999 Jul 1;27(13):2691-8. PMID:[http:// | DNA minor groove recognition of a non-self-complementary AT-rich sequence by a tris-benzimidazole ligand., Aymami J, Nunn CM, Neidle S, Nucleic Acids Res. 1999 Jul 1;27(13):2691-8. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/10373586 10373586] | ||
[[Category: Protein complex]] | [[Category: Protein complex]] | ||
[[Category: Aymami, J.]] | [[Category: Aymami, J.]] | ||
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[[Category: minor groove binding]] | [[Category: minor groove binding]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 19:08:29 2008'' | ||
Revision as of 17:08, 20 March 2008
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| 459d, resolution 2.3Å | |||||||||||||
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| Ligands: | TBZ | ||||||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||||||
DNA MINOR-GROOVE RECOGNITION OF A TRIS-BENZIMIDAZOLE DRUG
Overview
The crystal structure of the non-self-complementary dodecamer DNA duplex formed by d(CG[5BrC]ATAT-TTGCG) and d(CGCAAATATGCG) has been solved to 2.3 A resolution, together with that of its complex with the tris-benzimidazole minor groove binding ligand TRIBIZ. The inclusion of a bromine atom on one strand in each structure enabled the possibility of disorder to be discounted. The native structure has an exceptional narrow minor groove, of 2.5-2.6 A in the central part of the A/T region, which is increased in width by approximately 0.8 A on drug binding. The ligand molecule binds in the central part of the sequence. The benzimidazole subunits of the ligand participate in six bifurcated hydrogen bonds with A:T base pair edges, three to each DNA strand. The presence of a pair of C-H...O hydrogen bonds has been deduced from the close proximity of the pyrrolidine group of the ligand to the TpA step in the sequence.
About this Structure
459D is a Protein complex structure of sequences from [1]. Full crystallographic information is available from OCA.
Reference
DNA minor groove recognition of a non-self-complementary AT-rich sequence by a tris-benzimidazole ligand., Aymami J, Nunn CM, Neidle S, Nucleic Acids Res. 1999 Jul 1;27(13):2691-8. PMID:10373586
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