161d

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[[Image:161d.jpg|left|200px]]
[[Image:161d.jpg|left|200px]]
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{{Structure
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|PDB= 161d |SIZE=350|CAPTION= <scene name='initialview01'>161d</scene>, resolution 1.900&Aring;
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The line below this paragraph, containing "STRUCTURE_161d", creates the "Structure Box" on the page.
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|LIGAND= <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=G:GUANOSINE-5&#39;-MONOPHOSPHATE'>G</scene>
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{{STRUCTURE_161d| PDB=161d | SCENE= }}
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=161d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=161d OCA], [http://www.ebi.ac.uk/pdbsum/161d PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=161d RCSB]</span>
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'''A SINGLE 2'-HYDROXYL GROUP CONVERTS B-DNA TO A-DNA: CRYSTAL STRUCTURE OF THE DNA-RNA CHIMERIC DECAMER DUPLEX D(CCGGC)R(G)D(CCGG) WITH A NOVEL INTERMOLECULAR G.C BASE-PAIRED QUADRUPLET'''
'''A SINGLE 2'-HYDROXYL GROUP CONVERTS B-DNA TO A-DNA: CRYSTAL STRUCTURE OF THE DNA-RNA CHIMERIC DECAMER DUPLEX D(CCGGC)R(G)D(CCGG) WITH A NOVEL INTERMOLECULAR G.C BASE-PAIRED QUADRUPLET'''
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==About this Structure==
==About this Structure==
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161D 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=161D OCA].
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Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=161D OCA].
==Reference==
==Reference==
A single 2'-hydroxyl group converts B-DNA to A-DNA. Crystal structure of the DNA-RNA chimeric decamer duplex d(CCGGC)r(G)d(CCGG) with a novel intermolecular G-C base-paired quadruplet., Ban C, Ramakrishnan B, Sundaralingam M, J Mol Biol. 1994 Feb 11;236(1):275-85. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/7508984 7508984]
A single 2'-hydroxyl group converts B-DNA to A-DNA. Crystal structure of the DNA-RNA chimeric decamer duplex d(CCGGC)r(G)d(CCGG) with a novel intermolecular G-C base-paired quadruplet., Ban C, Ramakrishnan B, Sundaralingam M, J Mol Biol. 1994 Feb 11;236(1):275-85. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/7508984 7508984]
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[[Category: Protein complex]]
 
[[Category: Ban, C.]]
[[Category: Ban, C.]]
[[Category: Ramakrishnan, B.]]
[[Category: Ramakrishnan, B.]]
[[Category: Sundaralingam, M.]]
[[Category: Sundaralingam, M.]]
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[[Category: a-dna/rna]]
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[[Category: A-dna/rna]]
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[[Category: double helix]]
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[[Category: Double helix]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 09:31:53 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 18:28:40 2008''
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Revision as of 06:31, 2 May 2008

Template:STRUCTURE 161d

A SINGLE 2'-HYDROXYL GROUP CONVERTS B-DNA TO A-DNA: CRYSTAL STRUCTURE OF THE DNA-RNA CHIMERIC DECAMER DUPLEX D(CCGGC)R(G)D(CCGG) WITH A NOVEL INTERMOLECULAR G.C BASE-PAIRED QUADRUPLET


Overview

We have found that the introduction of a single 2'-hydroxyl group on the sugar-phosphate backbone of the B-DNA decamer d(CCGGCGCCGG) transforms it to A-DNA. Thus, for the first time the X-ray structures of the same sequence have been observed in both the A and B-DNA conformations, permitting a comparison. Crystals of the DNA-RNA chimeric decamer d(CCGGC)r(G)d(CCGG) belong to the orthorhombic space group P2(1)2(1)2(1) with unit cell dimensions a = 25.63 A, b = 45.24 A and c = 47.99 A, and one decamer duplex in the asymmetric unit. The structure was solved by a rigid body search using the coordinates of the isomorphous structure d(CCCGGCCGGG) and refined to an R value of 0.136 using 2753 unique reflections at 1.9 A resolution. The final model contains 406 nucleotide atoms and 61 water molecules. The chimeric duplex exhibits typical A-DNA geometry, with all the sugars in the C(3')-endo puckering and the base-pairs inclined and displaced from the helix axis. The 2'-hydroxyl groups on rG6 and rG16 protrude into the minor groove surface and form different types of hydrogen bonds; that on strand 1 forms an intermolecular hydrogen bond with the furanose ring O(4') of a symmetry-related C1 residue, while that on strand 2 is involved in two water bridges. Crystal packing forces the G4-G17 base-pair in the top half of the duplex to slide significantly into the minor groove compared to the corresponding G7-G14 base-pair in the bottom half, resulting in these base-pairs exhibiting different base stacking and intermolecular interactions. The base G4 of the G4-G17 base-pair forms an unorthodox base "triple", G4*(G10-C11), hydrogen-bonding through its minor groove sites N(2) and N(3) to the minor groove atoms N(2) and O(2) of both bases of the G10-C11 base-pair of a symmetry-related molecule. The base G10 of this triple in turn forms a second similar unorthodox base triple, G10*(G3*C18), with the adjacent base-pair G3-C18 of the duplex, thus G10 is involved in a double triple. On the other hand, in the bottom half of the duplex, the C7-G14 base-pair is involved only in a single similar unorthodox base triple with G20, (C7-G14)*G20, while the adjacent base-pair rG6-C15 is involved in a novel quadruple with C1-G20, (rG6-C15) *(C1-G20), where the latter base-pairs are hydrogen-bonded to each other via the minor groove sites G(N(2))...C(O(2)).(ABSTRACT TRUNCATED AT 400 WORDS)

About this Structure

Full crystallographic information is available from OCA.

Reference

A single 2'-hydroxyl group converts B-DNA to A-DNA. Crystal structure of the DNA-RNA chimeric decamer duplex d(CCGGC)r(G)d(CCGG) with a novel intermolecular G-C base-paired quadruplet., Ban C, Ramakrishnan B, Sundaralingam M, J Mol Biol. 1994 Feb 11;236(1):275-85. PMID:7508984 Page seeded by OCA on Fri May 2 09:31:53 2008

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