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| STRUCTURE OF (RGGC(GA)UNDER-BARGCC)2 IN SOLUTION FROM NMR AND RESTRAINED MOLECULAR-DYNAMICS |
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| Author(s): SANTALUCIA J, TURNER DH |
| Source: BIOCHEMISTRY Volume: 32 Issue: 47 Pages: 12612-12623 Published: NOV 30 1993 |
| Times Cited: 141 References: 56 |
| Abstract: The duplex (rGGCGAGCC)2 contains tandem G.A mismatches-a common motif in the secondary structures of biological RNAs. The three-dimensional structure of (rGGCGAGCC)2 was derived using molecular dynamics and energy minimization with NMR-derived restraints for 78 interproton distances (per strand), 18 hydrogen bonds for the six Watson-Crick G.C pairs, and 26 dihedral angles (per strand). The G.A mismatch structures are similar to those observed in a DNA duplex [Li, Y., Zon, G., & Wilson, W. D. (1991) Proc. Natl. Acad. Sci. U.S.A. 80, 26-30] and an RNA hairpin [Heus, H. A., & Pardi, A. (1991) Science 253, 191-193], with hydrogen bonds from guanine 2-amino and N3 to adenine N7 and 6-amino, respectively. The other G 2-amino and A 6-amino protons are within hydrogen-bonding distance of a phosphate oxygen and 2'-oxygen, respectively. Strong interstrand A-A and G-G stacking is observed between the G.A mismatches. This contrasts with the poor stacking observed between the G.A mismatches and closing G.C base pairs. The stems are basically A-form with all bases in the anti conformation and all nonterminal sugars in the C3'-endo conformation. The structure rationalizes previous thermodynamic, circular dichroism, and imino proton NMR results and suggests tandem G.A mismatches in RNA may provide a contact site for tertiary interactions. |
| Document Type: Article |
| Language: English |
| Reprint Address: SANTALUCIA, J (reprint author), UNIV CALIF BERKELEY, DEPT CHEM, BERKELEY, CA 94720 USA |
Addresses:
1. UNIV ROCHESTER, DEPT CHEM, ROCHESTER, NY 14627 USA |
| Publisher: AMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, DC 20036 |
| Subject Category: Biochemistry & Molecular Biology |
| IDS Number: MJ990 |
| ISSN: 0006-2960 |
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