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| - | [[Image:311d.gif|left|200px]] | |
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| - | {{Structure
| + | ==THE ROLE OF HYDROGEN BONDING IN MINOR-GROOVE DRUG-DNA RECOGNITION. STRUCTURE OF A BIS-AMIDINIUM DERIVATIVE OF HOECHST 33258 COMPLEXED TO THE DODECANUCLEOTIDE D(CGCGAATTCGCG)2== |
| - | |PDB= 311d |SIZE=350|CAPTION= <scene name='initialview01'>311d</scene>, resolution 2.200Å
| + | <StructureSection load='311d' size='340' side='right'caption='[[311d]], [[Resolution|resolution]] 2.20Å' scene=''> |
| - | |SITE=
| + | == Structural highlights == |
| - | |LIGAND= <scene name='pdbligand=DA:2'-DEOXYADENOSINE-5'-MONOPHOSPHATE'>DA</scene>, <scene name='pdbligand=DC:2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE'>DC</scene>, <scene name='pdbligand=DG:2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE'>DG</scene>, <scene name='pdbligand=DT:THYMIDINE-5'-MONOPHOSPHATE'>DT</scene>, <scene name='pdbligand=HT2:5-AMIDINO-2-[2-(4-AMIDINOPHENYL)-5-BENZIMIDAZOLYL]BENZIMIDAZOLE'>HT2</scene>
| + | <table><tr><td colspan='2'>[[311d]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=311D OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=311D FirstGlance]. <br> |
| - | |ACTIVITY=
| + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.2Å</td></tr> |
| - | |GENE=
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=HT2:5-AMIDINO-2-[2-(4-AMIDINOPHENYL)-5-BENZIMIDAZOLYL]BENZIMIDAZOLE'>HT2</scene></td></tr> |
| - | |DOMAIN=
| + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=311d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=311d OCA], [https://pdbe.org/311d PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=311d RCSB], [https://www.ebi.ac.uk/pdbsum/311d PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=311d ProSAT]</span></td></tr> |
| - | |RELATEDENTRY=
| + | </table> |
| - | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=311d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=311d OCA], [http://www.ebi.ac.uk/pdbsum/311d PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=311d RCSB]</span>
| + | __TOC__ |
| - | }}
| + | </StructureSection> |
| - | | + | [[Category: Large Structures]] |
| - | '''THE ROLE OF HYDROGEN BONDING IN MINOR-GROOVE DRUG-DNA RECOGNITION. STRUCTURE OF A BIS-AMIDINIUM DERIVATIVE OF HOECHST 33258 COMPLEXED TO THE DODECANUCLEOTIDE D(CGCGAATTCGCG)2'''
| + | [[Category: Boykin DW]] |
| - | | + | [[Category: Clark GR]] |
| - | | + | [[Category: Czarny A]] |
| - | ==Overview==
| + | [[Category: Neidle S]] |
| - | The crystal structure is reported of a complex between the dodecanucleotide sequence d(CGCGAATTCGCG)2and an analogue of the DNA binding drug Hoechst 33258, in which the piperazine ring has been replaced by an amidinium group and the phenol ring by a phenylamidinium group. The structure has been refined to an R factor of 19.5% at 2.2 A resolution. The drug is held in the minor groove by five strong hydrogen bonds, together with bridging water molecules at both ends. There are few other contacts with the floor of the groove, indicating a lack of isohelicity with the groove and suggesting (i) that the observed high DNA affinity of this drug is primarily due to the array of hydrogen bonds and (ii) that these more than compensate for its poor isohelicity.
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| - | | + | |
| - | ==About this Structure==
| + | |
| - | 311D 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=311D OCA].
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| - | | + | |
| - | ==Reference==
| + | |
| - | Structure of a bis-amidinium derivative of hoechst 33258 complexed to dodecanucleotide d(CGCGAATTCGCG)2: the role of hydrogen bonding in minor groove drug-DNA recognition., Clark GR, Boykin DW, Czarny A, Neidle S, Nucleic Acids Res. 1997 Apr 15;25(8):1510-5. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/9162901 9162901]
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| - | [[Category: Protein complex]] | + | |
| - | [[Category: Boykin, D W.]] | + | |
| - | [[Category: Clark, G R.]] | + | |
| - | [[Category: Czarny, A.]] | + | |
| - | [[Category: Neidle, S.]] | + | |
| - | [[Category: b-dna]]
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| - | [[Category: complexed with drug]]
| + | |
| - | [[Category: double helix]]
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| - | | + | |
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 05:21:12 2008''
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