ONZ classification of G-tetrads

Recently I read the article Topology-based classification of tetrads and quadruplex structures in Bioinformatics by Popenda et al. In this work, the authors proposed an ONZ classification scheme of G-tetrads in intramolecular G-quadruplexes (G4) as shown below (Fig. 2 in the publication):

ONZ classification of G-tetrads in intramolecular G-quadruplexes

I am glad to find that DSSR has been used as a component in their computational tool ElTetrado to automatically identify and classify tetrads and quadruplexes.

Structures from both sets were analysed using self-implemented programs along with DSSR software from the 3DNA suite (Lu et al. (2015)). From DSSR, we acquired the information about base pairs and stacking.

I like the ONZ classification scheme: it is simple in concept yet provides a new perspective for the topologies of G-tetrads in intramolecular G4 structures. So I implemented the idea in DSSR v1.9.8-2019oct16, with this feature available via the --g4-onz option. Note that ElTetrado, according to the authors, is applicable to ONZ classifications of general types of tetrads and quadruplexes. The DSSR implementation of ONZ classifications, on the other hand, is strictly limited to G-tetrads in intramolecular G4 structures.

The DSSR ONZ classification results match the ones reported in Figs. 1, 5, and 6 of the Popenda et al. paper. For example, for PDB entry 6H1K (Fig. 6), the relevant results with the --g4-onz option and without it are listed below:

# x3dna-dssr -i=6h1k.pdb --g4-onz
List of 3 G-tetrads
   1 glyco-bond=s--- groove=w--n planarity=0.149 type=planar Z- nts=4 GGGG A.DG1,A.DG20,A.DG16,A.DG27
   2 glyco-bond=-sss groove=w--n planarity=0.136 type=planar Z+ nts=4 GGGG A.DG2,A.DG19,A.DG15,A.DG26
   3 glyco-bond=--s- groove=-wn- planarity=0.307 type=other  O+ nts=4 GGGG A.DG17,A.DG21,A.DG25,A.DG28
# ---------------------------------------
# x3dna-dssr -i=6h1k.pdb 
#   without option --g4-onz
List of 3 G-tetrads
   1 glyco-bond=s--- groove=w--n planarity=0.149 type=planar nts=4 GGGG A.DG1,A.DG20,A.DG16,A.DG27
   2 glyco-bond=-sss groove=w--n planarity=0.136 type=planar nts=4 GGGG A.DG2,A.DG19,A.DG15,A.DG26
   3 glyco-bond=--s- groove=-wn- planarity=0.307 type=other  nts=4 GGGG A.DG17,A.DG21,A.DG25,A.DG28

With the --json option, the ONZ classification results are always available. An example is shown below for PDB entry 6H1K (Fig. 6):

# x3dna-dssr -i=6h1k.pdb --json | jq -c '.G4tetrads[] | [.nts_long, .topo_class]'
["A.DG1,A.DG20,A.DG16,A.DG27","Z-"]
["A.DG2,A.DG19,A.DG15,A.DG26","Z+"]
["A.DG17,A.DG21,A.DG25,A.DG28","O+"]
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