432d

From Proteopedia

(Difference between revisions)
Jump to: navigation, search
Line 1: Line 1:
-
[[Image:432d.gif|left|200px]]
+
{{Seed}}
 +
[[Image:432d.png|left|200px]]
<!--
<!--
Line 9: Line 10:
{{STRUCTURE_432d| PDB=432d | SCENE= }}
{{STRUCTURE_432d| PDB=432d | SCENE= }}
-
'''D(GGCCAATTGG) COMPLEXED WITH DAPI'''
+
===D(GGCCAATTGG) COMPLEXED WITH DAPI===
-
==Overview==
+
<!--
-
The single-crystal X-ray structure of the complex between the minor groove binder 4',6-diamidino-2-phenylindole (DAPI) and d(GGCCAATTGG) reveals a novel way of off-centered binding, with an unique hydrogen bond between the minor groove binder and a CG base pair. Application of crystal engineering and cryocooling techniques helped to extend the resolution to 1.9 A, resulting in an unambiguous determination of drug conformation and orientation. The structure was refined to completion using SHELXL-93, resulting in a residual factor R of 18. 0% for 3562 reflections with F(o) &gt; 4sigma(F(o)) including 81 water molecules. As the bulky NH(2)-group on guanine is believed to prevent drug binding in the minor groove, the nature and stability of the CG-DAPI contact was further addressed in full detail using ab initio quantum chemical methods. The amino groups involved in the guanine-drug interaction are substantially nonplanar, resulting in an energy gain of about 5 kcal/mol. The combined structural and theoretical data suggest that the guanine NH(2)-group does not destabilize the drug binding to an extent that it prevents complexation.
+
The line below this paragraph, {{ABSTRACT_PUBMED_10600105}}, adds the Publication Abstract to the page
 +
(as it appears on PubMed at http://www.pubmed.gov), where 10600105 is the PubMed ID number.
 +
-->
 +
{{ABSTRACT_PUBMED_10600105}}
==About this Structure==
==About this Structure==
Line 28: Line 32:
[[Category: Minor groove binder]]
[[Category: Minor groove binder]]
[[Category: Triplet formation]]
[[Category: Triplet formation]]
-
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 22:17:32 2008''
+
 
 +
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Jul 3 13:18:50 2008''

Revision as of 10:18, 3 July 2008

Image:432d.png

Template:STRUCTURE 432d

D(GGCCAATTGG) COMPLEXED WITH DAPI

Template:ABSTRACT PUBMED 10600105

About this Structure

Full crystallographic information is available from OCA.

Reference

Crystal structure of d(GGCCAATTGG) complexed with DAPI reveals novel binding mode., Vlieghe D, Sponer J, Van Meervelt L, Biochemistry. 1999 Dec 14;38(50):16443-51. PMID:10600105

Page seeded by OCA on Thu Jul 3 13:18:50 2008

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/432d"
Personal tools