1aul

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[[Image:1aul.gif|left|200px]]
[[Image:1aul.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 1aul |SIZE=350|CAPTION= <scene name='initialview01'>1aul</scene>
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The line below this paragraph, containing "STRUCTURE_1aul", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=DA:2&#39;-DEOXYADENOSINE-5&#39;-MONOPHOSPHATE'>DA</scene>, <scene name='pdbligand=DC:2&#39;-DEOXYCYTIDINE-5&#39;-MONOPHOSPHATE'>DC</scene>, <scene name='pdbligand=DG:2&#39;-DEOXYGUANOSINE-5&#39;-MONOPHOSPHATE'>DG</scene>, <scene name='pdbligand=DT:THYMIDINE-5&#39;-MONOPHOSPHATE'>DT</scene>, <scene name='pdbligand=THX:PHOSPHONIC+ACID+6-({6-[6-(6-CARBAMOYL-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBONYL)-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDOCENE-2-CARBONYL]-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBONL}-AMINO)-HEXYL+ESTER+5-(5-METHYL-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-TETRAHYDRO-FURAN-2-YLMETHYL+ESTER'>THX</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY=
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or leave the SCENE parameter empty for the default display.
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|GENE=
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-->
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|DOMAIN=
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{{STRUCTURE_1aul| PDB=1aul | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1aul FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1aul OCA], [http://www.ebi.ac.uk/pdbsum/1aul PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1aul RCSB]</span>
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}}
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'''SOLUTION STRUCTURE OF A HIGHLY STABLE DNA DUPLEX CONJUGATED TO A MINOR GROOVE BINDER, NMR, MINIMIZED AVERAGE STRUCTURE'''
'''SOLUTION STRUCTURE OF A HIGHLY STABLE DNA DUPLEX CONJUGATED TO A MINOR GROOVE BINDER, NMR, MINIMIZED AVERAGE STRUCTURE'''
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==About this Structure==
==About this Structure==
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1AUL is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/ ]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1AUL OCA].
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Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1AUL OCA].
==Reference==
==Reference==
Solution structure of a highly stable DNA duplex conjugated to a minor groove binder., Kumar S, Reed MW, Gamper HB Jr, Gorn VV, Lukhtanov EA, Foti M, West J, Meyer RB Jr, Schweitzer BI, Nucleic Acids Res. 1998 Feb 1;26(3):831-8. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/9443977 9443977]
Solution structure of a highly stable DNA duplex conjugated to a minor groove binder., Kumar S, Reed MW, Gamper HB Jr, Gorn VV, Lukhtanov EA, Foti M, West J, Meyer RB Jr, Schweitzer BI, Nucleic Acids Res. 1998 Feb 1;26(3):831-8. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/9443977 9443977]
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[[Category: Protein complex]]
 
[[Category: Foti, M.]]
[[Category: Foti, M.]]
[[Category: Gorn, V V.]]
[[Category: Gorn, V V.]]
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[[Category: Schweitzer, B I.]]
[[Category: Schweitzer, B I.]]
[[Category: West, J.]]
[[Category: West, J.]]
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[[Category: cdpi3]]
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[[Category: Cdpi3]]
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[[Category: deoxyribonucleic acid]]
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[[Category: Deoxyribonucleic acid]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 10:42:28 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 18:47:43 2008''
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Revision as of 07:42, 2 May 2008

Template:STRUCTURE 1aul

SOLUTION STRUCTURE OF A HIGHLY STABLE DNA DUPLEX CONJUGATED TO A MINOR GROOVE BINDER, NMR, MINIMIZED AVERAGE STRUCTURE


Overview

The tripeptide 1,2-dihydro-(3 H )-pyrrolo[3,2- e ]indole-7-carboxylate (CDPI3) binds to the minor groove of DNA with high affinity. When this minor groove binder is conjugated to the 5'-end of short oligonucleotides the conjugates form unusually stable hybrids with complementary DNA and thus may have useful diagnostic and/or therapeutic applications. In order to gain an understanding of the structural interactions between the CDPI3minor groove binding moiety and the DNA, we have determined and compared the solution structure of a duplex consisting of oligodeoxyribonucleotide 5'-TGATTATCTG-3' conjugated at the 5'-end to CDPI3 and its complementary strand to an unmodified control duplex of the same sequence using nuclear magnetic resonance techniques. Thermal denaturation studies indicated that the hybrid of this conjugate with its complementary strand had a melting temperature that was 30 degrees C higher compared with the unmodified control duplex. Following restrained molecular dynamics and relaxation matrix refinement, the solution structure of the CDPI3-conjugated DNA duplex demonstrated that the overall shape of the duplex was that of a straight B-type helix and that the CDPI3moiety was bound snugly in the minor groove, where it was stabilized by extensive van der Waal's interactions.

About this Structure

Full crystallographic information is available from OCA.

Reference

Solution structure of a highly stable DNA duplex conjugated to a minor groove binder., Kumar S, Reed MW, Gamper HB Jr, Gorn VV, Lukhtanov EA, Foti M, West J, Meyer RB Jr, Schweitzer BI, Nucleic Acids Res. 1998 Feb 1;26(3):831-8. PMID:9443977 Page seeded by OCA on Fri May 2 10:42:28 2008

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