Skip to main content
Proceedings of the National Academy of Sciences of the United States of America logoLink to Proceedings of the National Academy of Sciences of the United States of America
. 1988 Apr;85(8):2579–2583. doi: 10.1073/pnas.85.8.2579

Some rules for predicting the base-sequence dependence of DNA conformation.

W L Peticolas 1, Y Wang 1, G A Thomas 1
PMCID: PMC280041  PMID: 3357884

Abstract

Two tables have been constructed showing the crystal and solution conformations of short sequences of DNA. Each of these DNAs has been found to be in one of three different conformations--the A, B, or Z form--depending upon the base sequence and the environmental conditions. A set of rules is presented showing the tendency of certain base pairs to direct the DNA conformation into the A, B, or Z genus in saturated salt solutions and in crystals. These rules are based on a consideration of nearest-neighbor interactions that are interpreted in terms of 10 different two-letter code words made from the letters denoting the bases guanine (G), cytosine (C), adenine (A), and thymine (T). One table discusses the effect on DNA conformation of 3 strong words that tend to direct a DNA oligomer into either the A, B, or Z genus in crystals or in aqueous solutions containing a high salt concentration (6 M). The second table discusses the remaining 7 code words that appear to have a much weaker effect on conformation. The sequences that are most likely to lead to A-Z, B-Z, and A-B junctions are discussed, as is the possible biological significance of these rules.

Full text

PDF
2579

Selected References

These references are in PubMed. This may not be the complete list of references from this article.

  1. Arnott S., Chandrasekaran R., Hall I. H., Puigjaner L. C. Heteronomous DNA. Nucleic Acids Res. 1983 Jun 25;11(12):4141–4155. doi: 10.1093/nar/11.12.4141. [DOI] [PMC free article] [PubMed] [Google Scholar]
  2. Behling R. W., Kearns D. R. 1H two-dimensional nuclear Overhauser effect and relaxation studies of poly(dA).poly(dT) Biochemistry. 1986 Jun 3;25(11):3335–3346. doi: 10.1021/bi00359a037. [DOI] [PubMed] [Google Scholar]
  3. Benevides J. M., Wang A. H., Rich A., Kyogoku Y., van der Marel G. A., van Boom J. H., Thomas G. J., Jr Raman spectra of single crystals of r(GCG)d(CGC) and d(CCCCGGGG) as models for A DNA, their structure transitions in aqueous solution, and comparison with double-helical poly(dG).poly(dC). Biochemistry. 1986 Jan 14;25(1):41–50. doi: 10.1021/bi00349a007. [DOI] [PubMed] [Google Scholar]
  4. Benevides J. M., Wang A. H., van der Marel G. A., van Boom J. H., Rich A., Thomas G. J., Jr The Raman spectra of left-handed DNA oligomers incorporating adenine-thymine base pairs+. Nucleic Acids Res. 1984 Jul 25;12(14):5913–5925. doi: 10.1093/nar/12.14.5913. [DOI] [PMC free article] [PubMed] [Google Scholar]
  5. Berg O. G., von Hippel P. H. Selection of DNA binding sites by regulatory proteins. Statistical-mechanical theory and application to operators and promoters. J Mol Biol. 1987 Feb 20;193(4):723–750. doi: 10.1016/0022-2836(87)90354-8. [DOI] [PubMed] [Google Scholar]
  6. Brennan R. G., Westhof E., Sundaralingam M. Structure of a Z-DNA with two different backbone chain conformations. Stabilization of the decadeoxyoligonucleotide d(CGTACGTACG) by [Co(NH3)6]3+ binding to the guanine. J Biomol Struct Dyn. 1986 Feb;3(4):649–665. doi: 10.1080/07391102.1986.10508453. [DOI] [PubMed] [Google Scholar]
  7. Conner B. N., Takano T., Tanaka S., Itakura K., Dickerson R. E. The molecular structure of d(ICpCpGpG), a fragment of right-handed double helical A-DNA. Nature. 1982 Jan 28;295(5847):294–299. doi: 10.1038/295294a0. [DOI] [PubMed] [Google Scholar]
  8. Conner B. N., Yoon C., Dickerson J. L., Dickerson R. E. Helix geometry and hydration in an A-DNA tetramer: IC-C-G-G. J Mol Biol. 1984 Apr 25;174(4):663–695. doi: 10.1016/0022-2836(84)90089-5. [DOI] [PubMed] [Google Scholar]
  9. Crawford J. L., Kolpak F. J., Wang A. H., Quigley G. J., van Boom J. H., van der Marel G., Rich A. The tetramer d(CpGpCpG) crystallizes as a left-handed double helix. Proc Natl Acad Sci U S A. 1980 Jul;77(7):4016–4020. doi: 10.1073/pnas.77.7.4016. [DOI] [PMC free article] [PubMed] [Google Scholar]
  10. Drew H. R., Dickerson R. E. Structure of a B-DNA dodecamer. III. Geometry of hydration. J Mol Biol. 1981 Sep 25;151(3):535–556. doi: 10.1016/0022-2836(81)90009-7. [DOI] [PubMed] [Google Scholar]
  11. Drew H., Takano T., Tanaka S., Itakura K., Dickerson R. E. High-salt d(CpGpCpG), a left-handed Z' DNA double helix. Nature. 1980 Aug 7;286(5773):567–573. doi: 10.1038/286567a0. [DOI] [PubMed] [Google Scholar]
  12. FRANKLIN R. E., GOSLING R. G. Molecular configuration in sodium thymonucleate. Nature. 1953 Apr 25;171(4356):740–741. doi: 10.1038/171740a0. [DOI] [PubMed] [Google Scholar]
  13. Fujii S., Wang A. H., Quigley G. J., Westerink H., Van der Marel G., Van Boom J. H., Rich A. The octamers d(CGCGCGCG) and d(CGCATGCG) both crystallize as Z-DNA in the same hexagonal lattice. Biopolymers. 1985 Jan;24(1):243–250. doi: 10.1002/bip.360240118. [DOI] [PubMed] [Google Scholar]
  14. Haran T. E., Shakked Z., Wang A. H., Rich A. The crystal structure of d(CCCCGGGG): a new A-form variant with an extended backbone conformation. J Biomol Struct Dyn. 1987 Oct;5(2):199–217. doi: 10.1080/07391102.1987.10506390. [DOI] [PubMed] [Google Scholar]
  15. Kubasek W. L., Wang Y., Thomas G. A., Patapoff T. W., Schoenwaelder K. H., Van der Sande J. H., Peticolas W. L. Raman spectra of the model B-DNA oligomer d(CGCGAATTCGCG)2 and of the DNA in living salmon sperm show that both have very similar B-type conformations. Biochemistry. 1986 Nov 18;25(23):7440–7445. doi: 10.1021/bi00371a028. [DOI] [PubMed] [Google Scholar]
  16. McCall M., Brown T., Hunter W. N., Kennard O. The crystal structure of d(GGATGGGAG): an essential part of the binding site for transcription factor IIIA. Nature. 1986 Aug 14;322(6080):661–664. doi: 10.1038/322661a0. [DOI] [PubMed] [Google Scholar]
  17. McCall M., Brown T., Kennard O. The crystal structure of d(G-G-G-G-C-C-C-C). A model for poly(dG).poly(dC). J Mol Biol. 1985 Jun 5;183(3):385–396. doi: 10.1016/0022-2836(85)90009-9. [DOI] [PubMed] [Google Scholar]
  18. McLean M. J., Blaho J. A., Kilpatrick M. W., Wells R. D. Consecutive A X T pairs can adopt a left-handed DNA structure. Proc Natl Acad Sci U S A. 1986 Aug;83(16):5884–5888. doi: 10.1073/pnas.83.16.5884. [DOI] [PMC free article] [PubMed] [Google Scholar]
  19. Miller J., McLachlan A. D., Klug A. Repetitive zinc-binding domains in the protein transcription factor IIIA from Xenopus oocytes. EMBO J. 1985 Jun;4(6):1609–1614. doi: 10.1002/j.1460-2075.1985.tb03825.x. [DOI] [PMC free article] [PubMed] [Google Scholar]
  20. Nishimura Y., Torigoe C., Katahira M., Tate S., Tanaka K., Tsuboi M., Matsuzaki J., Hotoda H., Sekine M., Hata T. A Raman spectroscopic study on the sequence dependent conformations of DNA oligomers. Nucleic Acids Symp Ser. 1986;(17):195–198. [PubMed] [Google Scholar]
  21. Nishimura Y., Torigoe C., Tsuboi M. Salt induced B----A transition of poly(dG).poly(dC) and the stabilization of A form by its methylation. Nucleic Acids Res. 1986 Mar 25;14(6):2737–2748. doi: 10.1093/nar/14.6.2737. [DOI] [PMC free article] [PubMed] [Google Scholar]
  22. Patel D. J., Kozlowski S. A., Hare D. R., Reid B., Ikuta S., Lander N., Itakura K. Conformation, dynamics, and structural transitions of the TATA box region of self-complementary d[(C-G)n-T-A-T-A-(C-G)n] duplexes in solution. Biochemistry. 1985 Feb 12;24(4):926–935. doi: 10.1021/bi00325a018. [DOI] [PubMed] [Google Scholar]
  23. Rich A., Nordheim A., Wang A. H. The chemistry and biology of left-handed Z-DNA. Annu Rev Biochem. 1984;53:791–846. doi: 10.1146/annurev.bi.53.070184.004043. [DOI] [PubMed] [Google Scholar]
  24. Seeman N. C., Rosenberg J. M., Rich A. Sequence-specific recognition of double helical nucleic acids by proteins. Proc Natl Acad Sci U S A. 1976 Mar;73(3):804–808. doi: 10.1073/pnas.73.3.804. [DOI] [PMC free article] [PubMed] [Google Scholar]
  25. Shakked Z., Rabinovich D., Cruse W. B., Egert E., Kennard O., Sala G., Salisbury S. A., Viswamitra M. A. Crystalline A-dna: the X-ray analysis of the fragment d(G-G-T-A-T-A-C-C). Proc R Soc Lond B Biol Sci. 1981 Nov 24;213(1193):479–487. doi: 10.1098/rspb.1981.0076. [DOI] [PubMed] [Google Scholar]
  26. Taillandier E., Ridoux J. P., Liquier J., Leupin W., Denny W. A., Wang Y., Thomas G. A., Peticolas W. L. Infrared and Raman studies show that poly(dA).poly(dT) and d(AAAAATTTTT)2 exhibit a heteronomous conformation in films at 75% relative humidity and a B-type conformation at high humidities and in solution. Biochemistry. 1987 Jun 16;26(12):3361–3368. doi: 10.1021/bi00386a017. [DOI] [PubMed] [Google Scholar]
  27. Thomas G. A., Peticolas W. L. Sequence dependence of conformations of self-complementary duplex tetradeoxynucleotides containing cytosine and guanine. Biochemistry. 1984 Jul 3;23(14):3202–3207. doi: 10.1021/bi00309a014. [DOI] [PubMed] [Google Scholar]
  28. Thomas G. J., Jr, Benevides J. M. An A-helix structure for poly(dA-dT) X poly(dA-dT). Biopolymers. 1985 Jun;24(6):1101–1105. doi: 10.1002/bip.360240613. [DOI] [PubMed] [Google Scholar]
  29. WATSON J. D., CRICK F. H. Genetical implications of the structure of deoxyribonucleic acid. Nature. 1953 May 30;171(4361):964–967. doi: 10.1038/171964b0. [DOI] [PubMed] [Google Scholar]
  30. Wang A. H., Fujii S., van Boom J. H., Rich A. Molecular structure of the octamer d(G-G-C-C-G-G-C-C): modified A-DNA. Proc Natl Acad Sci U S A. 1982 Jul;79(13):3968–3972. doi: 10.1073/pnas.79.13.3968. [DOI] [PMC free article] [PubMed] [Google Scholar]
  31. Wang A. H., Hakoshima T., van der Marel G., van Boom J. H., Rich A. AT base pairs are less stable than GC base pairs in Z-DNA: the crystal structure of d(m5CGTAm5CG). Cell. 1984 May;37(1):321–331. doi: 10.1016/0092-8674(84)90328-3. [DOI] [PubMed] [Google Scholar]
  32. Wang A. H., Quigley G. J., Kolpak F. J., Crawford J. L., van Boom J. H., van der Marel G., Rich A. Molecular structure of a left-handed double helical DNA fragment at atomic resolution. Nature. 1979 Dec 13;282(5740):680–686. doi: 10.1038/282680a0. [DOI] [PubMed] [Google Scholar]
  33. Wang Y., Thomas G. A., Peticolas W. L. Sequence dependence of the B to Z transition in crystals and aqueous NaCl solutions for deoxyoligonucleotides containing all four canonical DNA bases. Biochemistry. 1987 Aug 11;26(16):5178–5186. doi: 10.1021/bi00390a042. [DOI] [PubMed] [Google Scholar]
  34. Wang Y., Thomas G. A., Peticolas W. L. Sequence dependent conformations of oligomeric DNA's in aqueous solutions and in crystals. J Biomol Struct Dyn. 1987 Oct;5(2):249–274. doi: 10.1080/07391102.1987.10506392. [DOI] [PubMed] [Google Scholar]
  35. Wing R., Drew H., Takano T., Broka C., Tanaka S., Itakura K., Dickerson R. E. Crystal structure analysis of a complete turn of B-DNA. Nature. 1980 Oct 23;287(5784):755–758. doi: 10.1038/287755a0. [DOI] [PubMed] [Google Scholar]

Articles from Proceedings of the National Academy of Sciences of the United States of America are provided here courtesy of National Academy of Sciences

RESOURCES