1vzk
From Proteopedia
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[[Image:1vzk.gif|left|200px]] | [[Image:1vzk.gif|left|200px]] | ||
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| - | + | {{STRUCTURE_1vzk| PDB=1vzk | SCENE= }} | |
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'''A THIOPHENE BASED DIAMIDINE FORMS A "SUPER" AT BINDING MINOR GROOVE AGENT''' | '''A THIOPHENE BASED DIAMIDINE FORMS A "SUPER" AT BINDING MINOR GROOVE AGENT''' | ||
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==About this Structure== | ==About this Structure== | ||
| - | 1VZK is a [[Single protein]] structure | + | 1VZK is a [[Single protein]] structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1VZK OCA]. |
==Reference== | ==Reference== | ||
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[[Category: Neidle, S.]] | [[Category: Neidle, S.]] | ||
[[Category: Wilson, W D.]] | [[Category: Wilson, W D.]] | ||
| - | [[Category: | + | [[Category: Dna hydration]] |
| - | [[Category: | + | [[Category: Dna-drug complex]] |
| - | [[Category: | + | [[Category: Double helix]] |
| - | [[Category: | + | [[Category: Magnesium-water complex]] |
| - | [[Category: | + | [[Category: Minor groove binder]] |
| - | [[Category: | + | [[Category: Nucleic acid]] |
| - | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 12:57:24 2008'' | |
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | |
Revision as of 09:57, 3 May 2008
A THIOPHENE BASED DIAMIDINE FORMS A "SUPER" AT BINDING MINOR GROOVE AGENT
Overview
The DNA minor groove is the interaction site for many enzymes and transcription control proteins and as a result, development of compounds that target the minor groove is an active research area. In an effort to develop biologically active minor groove agents, we are preparing and exploring the DNA interactions of a systematic set of diamidine derivatives with a powerful array of methods including DNase I footprinting, biosensor-SPR methods, and X-ray crystallography. Surprisingly, conversion of the parent phenyl-furan-phenyl diamidine to a phenyl-thiophene-benzimidazole derivative yields a compound with over 10-fold-increased affinity for the minor groove at AT sequences. Single conversion of the furan to a thiophene or a phenyl to benzimidazole does not cause a similar increase in affinity. X-ray results indicate a small bond angle difference between the C-S-C angle of thiophene and the C-O-C angle of furan that, when amplified out to the terminal amidines of the benzimidazole compounds, yields a very significant difference in the positions of the amidines and their DNA interaction strength.
About this Structure
1VZK is a Single protein structure. Full crystallographic information is available from OCA.
Reference
Thiophene-based diamidine forms a "super" at binding minor groove agent., Mallena S, Lee MP, Bailly C, Neidle S, Kumar A, Boykin DW, Wilson WD, J Am Chem Soc. 2004 Oct 27;126(42):13659-69. PMID:15493923 Page seeded by OCA on Sat May 3 12:57:24 2008
