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PDBsum entry 198d
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References listed in PDB file
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Key reference
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Title
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A trigonal form of the idarubicin:d(cgatcg) complex; crystal and molecular structure at 2.0 a resolution.
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Authors
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A.Dautant,
B.Langlois d'Estaintot,
B.Gallois,
T.Brown,
W.N.Hunter.
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Ref.
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Nucleic Acids Res, 1995,
23,
1710-1716.
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PubMed id
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Note In the PDB file this reference is
annotated as "TO BE PUBLISHED".
The citation details given above were identified by an automated
search of PubMed on title and author
names, giving a
percentage match of
95%.
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Abstract
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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.
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Secondary reference #1
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Title
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Influence of aglycone modifications on the binding of anthracycline drugs to DNA: the molecular structure of idarubicin and 4-O-Demethyl-11-Deoxydoxorubicin complexed to d(cgatcg).
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Authors
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Y.G.Gao,
A.H.Wang.
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Ref.
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Anticancer Drug Des, 1991,
6,
137-149.
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PubMed id
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Headers
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