198d: Difference between revisions

Revision as of 12:39, 21 February 2008

A TRIGONAL FORM OF THE IDARUBICIN-D(CGATCG) COMPLEX: CRYSTAL AND MOLECULAR STRUCTURE AT 2.0 ANGSTROMS RESOLUTION

OverviewOverview

The X-ray crystal structure of the complex between the anthracycline idarubicin and d(CGATCG) has been solved by molecular replacement and refined to a resolution of 2.0 A. The final R-factor is 0.19 for 3768 reflections with Fo > or = 2 sigma (Fo). The complex crystallizes in the trigonal space group P31 with unit cell parameters a = b = 52.996(4), c = 33.065(2) A, alpha = beta = 90 degree, gamma = 120 degree. The asymmetric unit consists of two duplexes, each one being complexed with two idarubicin drugs intercalated at the CpG steps, one spermine and 160 water molecules. The molecular packing underlines major groove-major groove interactions between neighbouring helices, and an unusually low value of the occupied fraction of the unit cell due to a large solvent channel of approximately 30 A diameter. This is the first trigonal crystal form of a DNA-anthracycline complex. The structure is compared with the previously reported structure of the same complex crystallizing in a tetragonal form. The geometry of both the double helices and the intercalation site are conserved as are the intramolecular interactions despite the different crystal forms.

About this StructureAbout this Structure

198D is a Protein complex structure of sequences from [1] with and as ligands. Full crystallographic information is available from OCA.

ReferenceReference

A trigonal form of the idarubicin:d(CGATCG) complex; crystal and molecular structure at 2.0 A resolution., Dautant A, Langlois d'Estaintot B, Gallois B, Brown T, Hunter WN, Nucleic Acids Res. 1995 May 25;23(10):1710-6. PMID:7784175

Page seeded by OCA on Thu Feb 21 11:39:16 2008

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA

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-[[Image:198d.gif|left|200px]]<br /><applet load="198d" size="450" color="white" frame="true" align="right" spinBox="true"
+[[Image:198d.gif|left|200px]]<br /><applet load="198d" size="350" color="white" frame="true" align="right" spinBox="true"
 caption="198d, resolution 1.970&Aring;" />
 '''A TRIGONAL FORM OF THE IDARUBICIN-D(CGATCG) COMPLEX: CRYSTAL AND MOLECULAR STRUCTURE AT 2.0 ANGSTROMS RESOLUTION'''<br />
 ==Overview==
-The X-ray crystal structure of the complex between the anthracycline, idarubicin and d(CGATCG) has been solved by molecular replacement and, refined to a resolution of 2.0 A. The final R-factor is 0.19 for 3768, reflections with Fo &gt; or = 2 sigma (Fo). The complex crystallizes in the, trigonal space group P31 with unit cell parameters a = b = 52.996(4), c =, 33.065(2) A, alpha = beta = 90 degree, gamma = 120 degree. The asymmetric, unit consists of two duplexes, each one being complexed with two, idarubicin drugs intercalated at the CpG steps, one spermine and 160 water, molecules. The molecular packing underlines major groove-major groove, interactions between neighbouring helices, and an unusually low value of, the occupied fraction of the unit cell due to a large solvent channel of, approximately 30 A diameter. This is the first trigonal crystal form of a, DNA-anthracycline complex. The structure is compared with the previously, reported structure of the same complex crystallizing in a tetragonal form., The geometry of both the double helices and the intercalation site are, conserved as are the intramolecular interactions despite the different, crystal forms.
+The X-ray crystal structure of the complex between the anthracycline idarubicin and d(CGATCG) has been solved by molecular replacement and refined to a resolution of 2.0 A. The final R-factor is 0.19 for 3768 reflections with Fo &gt; or = 2 sigma (Fo). The complex crystallizes in the trigonal space group P31 with unit cell parameters a = b = 52.996(4), c = 33.065(2) A, alpha = beta = 90 degree, gamma = 120 degree. The asymmetric unit consists of two duplexes, each one being complexed with two idarubicin drugs intercalated at the CpG steps, one spermine and 160 water molecules. The molecular packing underlines major groove-major groove interactions between neighbouring helices, and an unusually low value of the occupied fraction of the unit cell due to a large solvent channel of approximately 30 A diameter. This is the first trigonal crystal form of a DNA-anthracycline complex. The structure is compared with the previously reported structure of the same complex crystallizing in a tetragonal form. The geometry of both the double helices and the intercalation site are conserved as are the intramolecular interactions despite the different crystal forms.
 ==About this Structure==
-D is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/ ] with DM5 and SPM as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=198D OCA].
+D is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/ ] with <scene name='pdbligand=DM5:'>DM5</scene> and <scene name='pdbligand=SPM:'>SPM</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=198D OCA].
 ==Reference==
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 [[Category: Brown, T.]]
 [[Category: Dautant, A.]]
-[[Category: Estaintot, B.Langlois.D.]]
+[[Category: Estaintot, B Langlois D.]]
 [[Category: Gallois, B.]]
-[[Category: Hunter, W.N.]]
+[[Category: Hunter, W N.]]
 [[Category: DM5]]
 [[Category: SPM]]
@@ Line 23: / Line 23: @@
 [[Category: right handed dna]]
-''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Sat Nov 24 22:13:55 2007''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 11:39:16 2008''