227d

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[[Image:227d.jpg|left|200px]]
[[Image:227d.jpg|left|200px]]
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{{Structure
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|PDB= 227d |SIZE=350|CAPTION= <scene name='initialview01'>227d</scene>, resolution 2.200&Aring;
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The line below this paragraph, containing "STRUCTURE_227d", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=BGF:2,5-BIS(4-GUANYLPHENYL)FURAN'>BGF</scene>, <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>
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|DOMAIN=
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{{STRUCTURE_227d| PDB=227d | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=227d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=227d OCA], [http://www.ebi.ac.uk/pdbsum/227d PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=227d RCSB]</span>
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'''A CRYSTALLOGRAPHIC AND SPECTROSCOPIC STUDY OF THE COMPLEX BETWEEN D(CGCGAATTCGCG)2 AND 2,5-BIS(4-GUANYLPHENYL)FURAN, AN ANALOGUE OF BERENIL. STRUCTURAL ORIGINS OF ENHANCED DNA-BINDING AFFINITY'''
'''A CRYSTALLOGRAPHIC AND SPECTROSCOPIC STUDY OF THE COMPLEX BETWEEN D(CGCGAATTCGCG)2 AND 2,5-BIS(4-GUANYLPHENYL)FURAN, AN ANALOGUE OF BERENIL. STRUCTURAL ORIGINS OF ENHANCED DNA-BINDING AFFINITY'''
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==About this Structure==
==About this Structure==
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227D 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=227D OCA].
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Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=227D OCA].
==Reference==
==Reference==
A crystallographic and spectroscopic study of the complex between d(CGCGAATTCGCG)2 and 2,5-bis(4-guanylphenyl)furan, an analogue of berenil. Structural origins of enhanced DNA-binding affinity., Laughton CA, Tanious F, Nunn CM, Boykin DW, Wilson WD, Neidle S, Biochemistry. 1996 May 7;35(18):5655-61. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/8639524 8639524]
A crystallographic and spectroscopic study of the complex between d(CGCGAATTCGCG)2 and 2,5-bis(4-guanylphenyl)furan, an analogue of berenil. Structural origins of enhanced DNA-binding affinity., Laughton CA, Tanious F, Nunn CM, Boykin DW, Wilson WD, Neidle S, Biochemistry. 1996 May 7;35(18):5655-61. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/8639524 8639524]
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[[Category: Protein complex]]
 
[[Category: Boykin, D W.]]
[[Category: Boykin, D W.]]
[[Category: Laughton, C A.]]
[[Category: Laughton, C A.]]
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[[Category: Tanious, F.]]
[[Category: Tanious, F.]]
[[Category: Wilson, W D.]]
[[Category: Wilson, W D.]]
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[[Category: b-dna]]
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[[Category: B-dna]]
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[[Category: complexed with drug]]
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[[Category: Complexed with drug]]
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[[Category: double helix]]
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[[Category: Double helix]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 18:20:22 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 01:44:40 2008''
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Revision as of 15:20, 3 May 2008

Image:227d.jpg

Template:STRUCTURE 227d

A CRYSTALLOGRAPHIC AND SPECTROSCOPIC STUDY OF THE COMPLEX BETWEEN D(CGCGAATTCGCG)2 AND 2,5-BIS(4-GUANYLPHENYL)FURAN, AN ANALOGUE OF BERENIL. STRUCTURAL ORIGINS OF ENHANCED DNA-BINDING AFFINITY


Overview

2,5-Bis(4-guanylphenyl)furan ("furamidine") is a dicationic minor groove binding drug that has been shown to be more effective than pentamidine against the Pneumocystis carinii pathogen in an immunosuppressed rat model. It has a close structural similarity to the antitrypanosomal drug berenil, differing only on the replacement of the central triazene unit with a furan moiety. we have determined the crystal structure of the complex between furamidine and the DNA dodecamer d(CGCGAATTCGCG)2 and compared it with the same DNA sequence by UV-visible, fluorescence, and CD spectroscopy. Furamidine shows tighter binding to this sequence (Keq = 6.7 x 10(6)) than berenil (Keq = 6.6 x 10(5)). The crystal structure reveals that, unlike berenil, furamidine makes direct hydrogen bond interactions with this DNA sequence through both amidinium groups to O2 atoms of thymine bases and is more isohelical with the minor groove. Molecular mechanics calculations support the hypothesis that these differences result in the improved interaction energy between the ligand and the DNA.

About this Structure

Full crystallographic information is available from OCA.

Reference

A crystallographic and spectroscopic study of the complex between d(CGCGAATTCGCG)2 and 2,5-bis(4-guanylphenyl)furan, an analogue of berenil. Structural origins of enhanced DNA-binding affinity., Laughton CA, Tanious F, Nunn CM, Boykin DW, Wilson WD, Neidle S, Biochemistry. 1996 May 7;35(18):5655-61. PMID:8639524 Page seeded by OCA on Sat May 3 18:20:22 2008

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