Summary information and primary citation

PDB-id
2may
Class
DNA
Method
NMR
Summary
Structure of a g-quadruplex containing a single lna modification
Reference
Li Z, Lech C, Adrian M, Heddi B, Phan AT: "Engineering G4: Towards effective incorporation of locked nucleic acid into G-quadruplexes."
Abstract
 
G4 notes
3 G-tetrads, 1 G4 helix, 1 G4 stem, UUDU, hybrid1, 3+1, 3(-P-Lw-Ln)

Cartoon-block schematics in six views (download the tarball)

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List of 3 G-tetrads

 1 glyco-bond=ss-s sugar=---- groove=-wn- planarity=0.171 type=other  O- nts=4 GGGG A.DG3,A.DG9,A.DG17,A.DG21
 2 glyco-bond=--s- sugar=3--- groove=-wn- planarity=0.176 type=other  O+ nts=4 gGGG A.LCG4,A.DG10,A.DG16,A.DG22
 3 glyco-bond=--s- sugar=--3- groove=-wn- planarity=0.207 type=bowl   O+ nts=4 GGGG A.DG5,A.DG11,A.DG15,A.DG23

List of 1 G4-helix

In DSSR, a G4-helix is defined by stacking interactions of G-tetrads, regardless of backbone connectivity, and may contain more than one G4-stem.

Helix#1, 3 G-tetrads, INTRA-molecular, with 1 stem
 1  glyco-bond=ss-s sugar=---- groove=-wn- Major-->WC O- nts=4 GGGG A.DG3,A.DG9,A.DG17,A.DG21
 2  glyco-bond=--s- sugar=3--- groove=-wn- WC-->Major O+ nts=4 gGGG A.LCG4,A.DG10,A.DG16,A.DG22
 3  glyco-bond=--s- sugar=--3- groove=-wn- WC-->Major O+ nts=4 GGGG A.DG5,A.DG11,A.DG15,A.DG23
  step#1  mm(<>,outward)  area=12.99 rise=3.61 twist=20.7
  step#2  pm(>>,forward)  area=12.53 rise=3.50 twist=28.0
  strand#1 DNA glyco-bond=s-- sugar=-3- nts=3 GgG A.DG3,A.LCG4,A.DG5
  strand#2 DNA glyco-bond=s-- sugar=--- nts=3 GGG A.DG9,A.DG10,A.DG11
  strand#3 DNA glyco-bond=-ss sugar=--3 nts=3 GGG A.DG17,A.DG16,A.DG15
  strand#4 DNA glyco-bond=s-- sugar=--- nts=3 GGG A.DG21,A.DG22,A.DG23

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2 stacking diagrams 
 1  glyco-bond=ss-s sugar=---- groove=-wn- Major-->WC O- nts=4 GGGG A.DG3,A.DG9,A.DG17,A.DG21
 2  glyco-bond=--s- sugar=3--- groove=-wn- WC-->Major O+ nts=4 gGGG A.LCG4,A.DG10,A.DG16,A.DG22
  step#1  mm(<>,outward)  area=12.99 rise=3.61 twist=20.7

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 2  glyco-bond=--s- sugar=3--- groove=-wn- WC-->Major O+ nts=4 gGGG A.LCG4,A.DG10,A.DG16,A.DG22
 3  glyco-bond=--s- sugar=--3- groove=-wn- WC-->Major O+ nts=4 GGGG A.DG5,A.DG11,A.DG15,A.DG23
  step#2  pm(>>,forward)  area=12.53 rise=3.50 twist=28.0

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List of 1 G4-stem

In DSSR, a G4-stem is defined as a G4-helix with backbone connectivity. Bulges are also allowed along each of the four strands.

Stem#1, 3 G-tetrads, 3 loops, INTRA-molecular, UUDU, hybrid1, 3+1, 3(-P-Lw-Ln)
 1  glyco-bond=ss-s sugar=---- groove=-wn- Major-->WC O- nts=4 GGGG A.DG3,A.DG9,A.DG17,A.DG21
 2  glyco-bond=--s- sugar=3--- groove=-wn- WC-->Major O+ nts=4 gGGG A.LCG4,A.DG10,A.DG16,A.DG22
 3  glyco-bond=--s- sugar=--3- groove=-wn- WC-->Major O+ nts=4 GGGG A.DG5,A.DG11,A.DG15,A.DG23
  step#1  mm(<>,outward)  area=12.99 rise=3.61 twist=20.7
  step#2  pm(>>,forward)  area=12.53 rise=3.50 twist=28.0
  strand#1  U DNA glyco-bond=s-- sugar=-3- nts=3 GgG A.DG3,A.LCG4,A.DG5
  strand#2  U DNA glyco-bond=s-- sugar=--- nts=3 GGG A.DG9,A.DG10,A.DG11
  strand#3  D DNA glyco-bond=-ss sugar=--3 nts=3 GGG A.DG17,A.DG16,A.DG15
  strand#4  U DNA glyco-bond=s-- sugar=--- nts=3 GGG A.DG21,A.DG22,A.DG23
  loop#1 type=propeller strands=[#1,#2] nts=3 TTA A.DT6,A.DT7,A.DA8
  loop#2 type=lateral   strands=[#2,#3] nts=3 TTA A.DT12,A.DT13,A.DA14
  loop#3 type=lateral   strands=[#3,#4] nts=3 TTA A.DT18,A.DT19,A.DA20

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