title: Water-bridged hydrogen bond formation between 5-hydroxylmethylcytosine (5-hmC) and its 3'-neighbouring bases in A- and B-form DNA duplexes.
abstract: 5-Hydroxylmethylcytosine (5hmC) has been recognized as the sixth base with important biological functions in many tissues and cell types. We present here the high-resolution crystal structures and molecular simulation studies of both A-form and B-form DNA duplexes containing 5hmC. We observed that 5hmC interacts with its 3'-neighboring bases through water-bridged hydrogen bonds and these interactions may affect the further oxidation of 5hmC.
authors.affiliation: Department of Chemistry, The RNA Institute, University at Albany, State University of New York, 1400 Washington Ave., Albany, NY 12222, USA. jsheng@albany.edu.
authors.forename: Rui
authors.initials: R
authors.lastname: Wang
authors.affiliation: Department of Chemistry, The RNA Institute, University at Albany, State University of New York, 1400 Washington Ave., Albany, NY 12222, USA. jsheng@albany.edu.
authors.forename: Srivathsan V
authors.initials: SV
authors.lastname: Ranganathan
authors.affiliation: Department of Chemistry, The RNA Institute, University at Albany, State University of New York, 1400 Washington Ave., Albany, NY 12222, USA. jsheng@albany.edu.
authors.forename: Vibhav A
authors.initials: VA
authors.lastname: Valsangkar
authors.affiliation: Department of Chemistry, The RNA Institute, University at Albany, State University of New York, 1400 Washington Ave., Albany, NY 12222, USA. jsheng@albany.edu.
authors.forename: Stephanie M
authors.initials: SM
authors.lastname: Magliocco
authors.affiliation: Department of Chemistry, The RNA Institute, University at Albany, State University of New York, 1400 Washington Ave., Albany, NY 12222, USA. jsheng@albany.edu.
authors.forename: Fusheng
authors.initials: F
authors.lastname: Shen
authors.affiliation: Department of Chemistry, The RNA Institute, University at Albany, State University of New York, 1400 Washington Ave., Albany, NY 12222, USA. jsheng@albany.edu.
authors.forename: Alan
authors.initials: A
authors.lastname: Chen
authors.affiliation: Department of Chemistry, The RNA Institute, University at Albany, State University of New York, 1400 Washington Ave., Albany, NY 12222, USA. jsheng@albany.edu.
authors.forename: Jia
authors.initials: J
authors.lastname: Sheng
mesh_terms: D044503:5-Methylcytosine / Q000031:analogs & derivatives; D020029:Base Pairing; D018360:Crystallography, X-Ray; D003596:Cytosine / Q000031:analogs & derivatives* / Q000737:chemistry; D044704:DNA, A-Form / Q000737:chemistry* / Q000648:ultrastructure; D059371:DNA, B-Form / Q000737:chemistry* / Q000648:ultrastructure; D006860:Hydrogen Bonding; D056004:Molecular Dynamics Simulation; D014867:Water / Q000737:chemistry*
chemical_list: D044704:DNA, A-Form; D059371:DNA, B-Form; D014867:Water; C011865:5-hydroxymethylcytosine; D044503:5-Methylcytosine; D003596:Cytosine