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THE STRUCTURE OF A HYDRATED 1-2 COMPLEX OF "ADENYLYL(3'-5')ADENOSINE-PROFLAVINE HEMISULFATE

SHIEH, H; BERMAN, H; NEIDLE, S; TAYLOR, G; SANDERSON, M; (1982) THE STRUCTURE OF A HYDRATED 1-2 COMPLEX OF "ADENYLYL(3'-5')ADENOSINE-PROFLAVINE HEMISULFATE. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE , 38 (Part 2) 523 - 531. 10.1107/S0567740882003318. Green open access

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Abstract

The 1:2 complex (M r = 1410.28) between adenylyl(3'- 5')adenosine (ApA), C20H25NIoOIoP, and proflavine hemisulphate, 2C 13H ~2N~ - . SO42-, crystallizes with 16.5 water molecules in the space group P21212 and unit-cell parameters a = 32.157 (5), b = 21.450 (4) and c = 10.175 (1) A; V = 7018.4 A 3, Z = 4, d c = 1.33, d m = 1.32 Mgm -3,/z(Cu Ka) = 1.32 mm -~, F(000) = 2980. Crystal data were measured up to 20 = 120 ° with Cu Ka radiation. The structure was determined by a multisolution phase method and refined by a blockedmode full-matrix least-squares procedure. The final R factor is 0.118 for 3507 observed data. The dinucleoside phosphate, ApA, in this structure has a very unusual conformation which is not found in other oligonucleotide structures. The backbone of ApA is extended and each adenine ring is hydrogen bonded to another symmetry-related one forming an adenineadenine base pair. Each base pair is sandwiched by proflavine cations which also stack with each other. Solvent molecules lie in the continuous channels between columns of stacked heterocyclic rings.

Type: Article
Title: THE STRUCTURE OF A HYDRATED 1-2 COMPLEX OF "ADENYLYL(3'-5')ADENOSINE-PROFLAVINE HEMISULFATE
Open access status: An open access version is available from UCL Discovery
DOI: 10.1107/S0567740882003318
Publisher version: http://scripts.iucr.org/cgi-bin/paper?S05677408820...
Language: English
Additional information: Copyright © International Union of Crystallography
UCL classification: UCL > Provost and Vice Provost Offices
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences > UCL School of Pharmacy
URI: http://discovery.ucl.ac.uk/id/eprint/1367099
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