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| - | [[Image:263d.jpg|left|200px]] | |
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| - | {{Structure
| + | ==ISOHELICITY AND PHASING IN DRUG-DNA SEQUENCE RECOGNITION: CRYSTAL STRUCTURE OF A TRIS(BENZIMIDAZOLE)-OLIGONUCLEOTIDE COMPLEX== |
| - | |PDB= 263d |SIZE=350|CAPTION= <scene name='initialview01'>263d</scene>, resolution 2.200Å
| + | <StructureSection load='263d' size='340' side='right'caption='[[263d]], [[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=TBZ:2''-(4-METHOXYPHENYL)-5-(3-AMINO-1-PYRROLIDINYL)-2,5',2',5''-TRI-BENZIMIDAZOLE'>TBZ</scene>
| + | <table><tr><td colspan='2'>[[263d]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=263D OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=263D 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=TBZ:2-(4-METHOXYPHENYL)-5-(3-AMINO-1-PYRROLIDINYL)-2,5,2,5-TRI-BENZIMIDAZOLE'>TBZ</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=263d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=263d OCA], [https://pdbe.org/263d PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=263d RCSB], [https://www.ebi.ac.uk/pdbsum/263d PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=263d ProSAT]</span></td></tr> |
| - | |RELATEDENTRY=
| + | </table> |
| - | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=263d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=263d OCA], [http://www.ebi.ac.uk/pdbsum/263d PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=263d RCSB]</span>
| + | __TOC__ |
| - | }}
| + | </StructureSection> |
| - | | + | [[Category: Large Structures]] |
| - | '''ISOHELICITY AND PHASING IN DRUG-DNA SEQUENCE RECOGNITION: CRYSTAL STRUCTURE OF A TRIS(BENZIMIDAZOLE)-OLIGONUCLEOTIDE COMPLEX'''
| + | [[Category: Clark GR]] |
| - | | + | [[Category: Gray EJ]] |
| - | | + | [[Category: Leupin W]] |
| - | ==Overview==
| + | [[Category: Li Y-H]] |
| - | The crystal structure is reported of a tris(benzimidazole) analogue of the minor-groove drug Hoechst 33258 bound to the sequence d(CGCAAATTTGCG)2. The structure has been refined to an R factor of 17.4% at a resolution of 2.2 A. The ligand covers approximately 7 1/2 base pairs, including the 5'-AAATTT central sequence. This has an exceptionally narrow minor-groove width, together with high propeller twists for individual base pairs. The ligand has a highly twisted structure, with an overall twist of 50 degrees between aromatic rings. All three benzimidazole subunits are in register with the DNA, and there is a symmetric group of six hydrogen bonds between ligand and A.T base-pair edges. By contrast, the ligand does not show an optimal isohelical fit to the DNA. The correct phasing of drug and DNA base pairs is ensured by a number of changes to the DNA such that the central 5'-AAATTT region is slightly unwound relative to the structures of other noncovalent minor-groove drug complexes.
| + | [[Category: Neidle S]] |
| - | | + | |
| - | ==About this Structure==
| + | |
| - | 263D 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=263D OCA].
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| - | | + | |
| - | ==Reference==
| + | |
| - | Isohelicity and phasing in drug--DNA sequence recognition: crystal structure of a tris(benzimidazole)--oligonucleotide complex., Clark GR, Gray EJ, Neidle S, Li YH, Leupin W, Biochemistry. 1996 Oct 29;35(43):13745-52. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/8901516 8901516]
| + | |
| - | [[Category: Protein complex]] | + | |
| - | [[Category: Clark, G R.]] | + | |
| - | [[Category: Gray, E J.]] | + | |
| - | [[Category: Leupin, W.]] | + | |
| - | [[Category: Li, Y H.]] | + | |
| - | [[Category: Neidle, S.]] | + | |
| - | [[Category: b-dna]]
| + | |
| - | [[Category: complexed with drug]]
| + | |
| - | [[Category: double helix]]
| + | |
| - | | + | |
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 01:45:44 2008''
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