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[[Image:1k2z.gif|left|200px]]


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==The Crystal Structure of d(GGCCAATTGG) Complexed with Distamycin.==
The line below this paragraph, containing "STRUCTURE_1k2z", creates the "Structure Box" on the page.
<StructureSection load='1k2z' size='340' side='right'caption='[[1k2z]], [[Resolution|resolution]] 2.38&Aring;' scene=''>
You may change the PDB parameter (which sets the PDB file loaded into the applet)
== Structural highlights ==
or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
<table><tr><td colspan='2'>[[1k2z]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1K2Z OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1K2Z FirstGlance]. <br>
or leave the SCENE parameter empty for the default display.
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.38&#8491;</td></tr>
-->
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DMY:DISTAMYCIN+A'>DMY</scene></td></tr>
{{STRUCTURE_1k2z|  PDB=1k2z  |  SCENE= }}
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1k2z FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1k2z OCA], [https://pdbe.org/1k2z PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1k2z RCSB], [https://www.ebi.ac.uk/pdbsum/1k2z PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1k2z ProSAT]</span></td></tr>
 
</table>
'''The Crystal Structure of d(GGCCAATTGG) Complexed with Distamycin.'''
__TOC__
 
</StructureSection>
 
[[Category: Large Structures]]
==Overview==
[[Category: Uytterhoeven K]]
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.
[[Category: Van Meervelt L]]
 
==About this Structure==
Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1K2Z OCA].  
 
==Reference==
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://www.ncbi.nlm.nih.gov/pubmed/12071949 12071949]
[[Category: Meervelt, L Van.]]
[[Category: Uytterhoeven, K.]]
[[Category: B-dna double helix]]
[[Category: Base triplet]]
[[Category: Distamycin]]
[[Category: Drug]]
[[Category: Minor groove binding]]
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May  2 22:14:20 2008''

Latest revision as of 07:43, 7 February 2024

The Crystal Structure of d(GGCCAATTGG) Complexed with Distamycin.

1k2z, resolution 2.38Å

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