1jtl

[[Image:1jtl.gif|left|200px]]<br /><applet load="1jtl" size="450" color="white" frame="true" align="right" spinBox="true"

caption="1jtl, resolution 1.85&Aring;" />

'''The crystal structure of d(GGCCAATTGG) Complexed with Distamycin'''<br />

==Overview==

Single-crystal X-ray structure determinations of the complex between the, minor-groove binder distamycin and d(GGCCAATTGG) reveal two 1 : 1 binding, modes which differ in the orientation of the drug molecule in the minor, groove. The two crystals were grown from different crystallization, conditions and found to diffract to 2.38 and 1.85 A, respectively. The, structures were refined to completion using SHELXL-93, resulting in a, residual R factor of 20.30% for the 2.38-A resolution structure (including, 46 water molecules) and 19.74% for the 1.85-A resolution structure, (including 74 water molecules). In both orientations, bifurcated hydrogen, bonds are formed between the amide nitrogen atoms of the drug and AT base, pairs. With a binding site of at least five base pairs, close contacts, between the terminal distamycin atoms and guanine amino groups are, inevitable. The detailed nature of several of these interactions was, further investigated by ab initio quantum chemical methods.

 

==About this Structure==

1JTL is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/ ] with DMY as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1JTL OCA].

 

Two 1 : 1 binding modes for distamycin in the minor groove of d(GGCCAATTGG)., Uytterhoeven K, Sponer J, Van Meervelt L, Eur J Biochem. 2002 Jun;269(12):2868-77. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=12071949 12071949]

[[Category: Protein complex]]

[[Category: Meervelt, L.Van.]]

[[Category: Uytterhoeven, K.]]

[[Category: distamycin]]

[[Category: drug]]

[[Category: minor groove binding]]