Structural features and hydration of a dodecamer duplex containing two C.A mispairs.
X-ray diffraction techniques have been used to characterise the crystal and molecular structure of the deoxyoligomer d(C-G-C-A-A-A-T-T-C-G-C-G) at 2.5A resolution. The final R factor is 0.19 with the location of 78 solvent molecules. The oligomer crystallises in a B-DNA type conformation with two st...
| Main Authors: | , , |
|---|---|
| Format: | Journal article |
| Language: | English |
| Published: |
1987
|
| _version_ | 1826268994340913152 |
|---|---|
| author | Hunter, W Brown, T Kennard, O |
| author_facet | Hunter, W Brown, T Kennard, O |
| author_sort | Hunter, W |
| collection | OXFORD |
| description | X-ray diffraction techniques have been used to characterise the crystal and molecular structure of the deoxyoligomer d(C-G-C-A-A-A-T-T-C-G-C-G) at 2.5A resolution. The final R factor is 0.19 with the location of 78 solvent molecules. The oligomer crystallises in a B-DNA type conformation with two strands coiled about each other to produce a duplex. This double helix consists of four A.T and six G.C Watson-Crick base pairs and two C.A mispairs. The mismatched base pairs adopt a "wobble" type structure with the cytosine displaced laterally into the major groove, the adenine into the minor groove. We have proposed that the two close contacts observed in the C.A pairing represent two hydrogen bonds one of which results from protonation of adenine. The mispairs are accommodated in the double helix with small adjustments in the conformation of the sugar-phosphate backbone. Details of the backbone conformation, base stacking interactions, thermal parameters and the hydration are now presented and compared with those of the native oligomer d(C-G-C-G-A-A-T-T-C-G-C-G) and with variations of this sequence containing G.T and G.A mispairs. |
| first_indexed | 2024-03-06T21:18:05Z |
| format | Journal article |
| id | oxford-uuid:407b4bdc-a6c1-4d23-a76e-7877bcbdd1cc |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-06T21:18:05Z |
| publishDate | 1987 |
| record_format | dspace |
| spelling | oxford-uuid:407b4bdc-a6c1-4d23-a76e-7877bcbdd1cc2022-03-26T14:38:12ZStructural features and hydration of a dodecamer duplex containing two C.A mispairs.Journal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:407b4bdc-a6c1-4d23-a76e-7877bcbdd1ccEnglishSymplectic Elements at Oxford1987Hunter, WBrown, TKennard, OX-ray diffraction techniques have been used to characterise the crystal and molecular structure of the deoxyoligomer d(C-G-C-A-A-A-T-T-C-G-C-G) at 2.5A resolution. The final R factor is 0.19 with the location of 78 solvent molecules. The oligomer crystallises in a B-DNA type conformation with two strands coiled about each other to produce a duplex. This double helix consists of four A.T and six G.C Watson-Crick base pairs and two C.A mispairs. The mismatched base pairs adopt a "wobble" type structure with the cytosine displaced laterally into the major groove, the adenine into the minor groove. We have proposed that the two close contacts observed in the C.A pairing represent two hydrogen bonds one of which results from protonation of adenine. The mispairs are accommodated in the double helix with small adjustments in the conformation of the sugar-phosphate backbone. Details of the backbone conformation, base stacking interactions, thermal parameters and the hydration are now presented and compared with those of the native oligomer d(C-G-C-G-A-A-T-T-C-G-C-G) and with variations of this sequence containing G.T and G.A mispairs. |
| spellingShingle | Hunter, W Brown, T Kennard, O Structural features and hydration of a dodecamer duplex containing two C.A mispairs. |
| title | Structural features and hydration of a dodecamer duplex containing two C.A mispairs. |
| title_full | Structural features and hydration of a dodecamer duplex containing two C.A mispairs. |
| title_fullStr | Structural features and hydration of a dodecamer duplex containing two C.A mispairs. |
| title_full_unstemmed | Structural features and hydration of a dodecamer duplex containing two C.A mispairs. |
| title_short | Structural features and hydration of a dodecamer duplex containing two C.A mispairs. |
| title_sort | structural features and hydration of a dodecamer duplex containing two c a mispairs |
| work_keys_str_mv | AT hunterw structuralfeaturesandhydrationofadodecamerduplexcontainingtwocamispairs AT brownt structuralfeaturesandhydrationofadodecamerduplexcontainingtwocamispairs AT kennardo structuralfeaturesandhydrationofadodecamerduplexcontainingtwocamispairs |