7KLP

Crystal structure of a three-tetrad, parallel, K+ stabilized human telomeric G-quadruplex

7KLP の概要

• エントリーDOI: 10.2210/pdb7klp/pdb
• 分子名称: telomeric DNA, POTASSIUM ION, HEXAETHYLENE GLYCOL, ... (4 entities in total)
• 機能のキーワード: three-quartets, parallel, g-quadruplex, propeller loops, human telomeric dna, dna
• 由来する生物種: Homo sapiens
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 7461.32

構造登録者

Yatsunyk, L.A.,Li, K.S.,Chen, E.V. (登録日: 2020-10-30, 公開日: 2020-12-30, 最終更新日: 2023-10-25)

主引用文献

Li, K.,Yatsunyk, L.,Neidle, S.
Water spines and networks in G-quadruplex structures.
Nucleic Acids Res., 49:519-528, 2021

PubMed Abstract: Quadruplex DNAs can fold into a variety of distinct topologies, depending in part on loop types and orientations of individual strands, as shown by high-resolution crystal and NMR structures. Crystal structures also show associated water molecules. We report here on an analysis of the hydration arrangements around selected folded quadruplex DNAs, which has revealed several prominent features that re-occur in related structures. Many of the primary-sphere water molecules are found in the grooves and loop regions of these structures. At least one groove in anti-parallel and hybrid quadruplex structures is long and narrow and contains an extensive spine of linked primary-sphere water molecules. This spine is analogous to but fundamentally distinct from the well-characterized spine observed in the minor groove of A/T-rich duplex DNA, in that every water molecule in the continuous quadruplex spines makes a direct hydrogen bond contact with groove atoms, principally phosphate oxygen atoms lining groove walls and guanine base nitrogen atoms on the groove floor. By contrast, parallel quadruplexes do not have extended grooves, but primary-sphere water molecules still cluster in them and are especially associated with the loops, helping to stabilize loop conformations.

PubMed: 33290519
DOI: 10.1093/nar/gkaa1177

実験手法

X-RAY DIFFRACTION (1.35 Å)