DSSR-enabled G4 identification/annotation: PDB entry 8d78
Summary information and primary citation
- PDB-id
- 8d78
- Class
- DNA
- Method
- X-ray (2.12 Å)
- Summary
- Crystal structure of a ba stabilized four-tetrad, parallel tetrahymena thermophila telomeric g-quadruplex in complex with n-methyl mesoporphyrin ix
- Reference
- Beseiso D, Chen EV, Yatsunyk LA: "Biophysical and structural characterization of telomeric G-quadruplexes from Tetrahymena thermophila in complex with N-Methyl Mesoporphyrin IX."
- Abstract
- G4 notes
- 4 G-tetrads, 1 G4 helix, 1 G4 stem, UUUU, parallel, 4+0, 4(-P-P-P)
Cartoon-block schematics in six views (download the tarball)
List of 4 G-tetrads
1 glyco-bond=---- sugar=33-- groove=---- planarity=0.170 type=other O+ nts=4 GGGG A.DG1,A.DG7,A.DG13,A.DG19 2 glyco-bond=---- sugar=---- groove=---- planarity=0.136 type=planar O+ nts=4 GGGG A.DG2,A.DG8,A.DG14,A.DG20 3 glyco-bond=---- sugar=---- groove=---- planarity=0.170 type=other O+ nts=4 GGGG A.DG3,A.DG9,A.DG15,A.DG21 4 glyco-bond=---- sugar=---- groove=---- planarity=0.242 type=bowl O+ nts=4 GGGG A.DG4,A.DG10,A.DG16,A.DG22
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, 4 G-tetrads, INTRA-molecular, with 1 stem
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1 glyco-bond=---- sugar=33-- groove=---- WC-->Major O+ nts=4 GGGG A.DG1,A.DG7,A.DG13,A.DG19 2 glyco-bond=---- sugar=---- groove=---- WC-->Major O+ nts=4 GGGG A.DG2,A.DG8,A.DG14,A.DG20 3 glyco-bond=---- sugar=---- groove=---- WC-->Major O+ nts=4 GGGG A.DG3,A.DG9,A.DG15,A.DG21 4 glyco-bond=---- sugar=---- groove=---- WC-->Major O+ nts=4 GGGG A.DG4,A.DG10,A.DG16,A.DG22 step#1 pm(>>,forward) area=6.82 rise=3.28 twist=35.2 step#2 pm(>>,forward) area=14.88 rise=3.29 twist=26.2 step#3 pm(>>,forward) area=9.42 rise=3.32 twist=29.2 strand#1 DNA glyco-bond=---- sugar=3--- nts=4 GGGG A.DG1,A.DG2,A.DG3,A.DG4 strand#2 DNA glyco-bond=---- sugar=3--- nts=4 GGGG A.DG7,A.DG8,A.DG9,A.DG10 strand#3 DNA glyco-bond=---- sugar=---- nts=4 GGGG A.DG13,A.DG14,A.DG15,A.DG16 strand#4 DNA glyco-bond=---- sugar=---- nts=4 GGGG A.DG19,A.DG20,A.DG21,A.DG22 |
| 3 stacking diagrams | |
|
1 glyco-bond=---- sugar=33-- groove=---- WC-->Major O+ nts=4 GGGG A.DG1,A.DG7,A.DG13,A.DG19 |
|
2 glyco-bond=---- sugar=---- groove=---- WC-->Major O+ nts=4 GGGG A.DG2,A.DG8,A.DG14,A.DG20 |
|
3 glyco-bond=---- sugar=---- groove=---- WC-->Major O+ nts=4 GGGG A.DG3,A.DG9,A.DG15,A.DG21 |
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, 4 G-tetrads, 3 loops, INTRA-molecular, UUUU, parallel, 4+0, 4(-P-P-P)
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1 glyco-bond=---- sugar=33-- groove=---- WC-->Major O+ nts=4 GGGG A.DG1,A.DG7,A.DG13,A.DG19 2 glyco-bond=---- sugar=---- groove=---- WC-->Major O+ nts=4 GGGG A.DG2,A.DG8,A.DG14,A.DG20 3 glyco-bond=---- sugar=---- groove=---- WC-->Major O+ nts=4 GGGG A.DG3,A.DG9,A.DG15,A.DG21 4 glyco-bond=---- sugar=---- groove=---- WC-->Major O+ nts=4 GGGG A.DG4,A.DG10,A.DG16,A.DG22 step#1 pm(>>,forward) area=6.82 rise=3.28 twist=35.2 step#2 pm(>>,forward) area=14.88 rise=3.29 twist=26.2 step#3 pm(>>,forward) area=9.42 rise=3.32 twist=29.2 strand#1 U DNA glyco-bond=---- sugar=3--- nts=4 GGGG A.DG1,A.DG2,A.DG3,A.DG4 strand#2 U DNA glyco-bond=---- sugar=3--- nts=4 GGGG A.DG7,A.DG8,A.DG9,A.DG10 strand#3 U DNA glyco-bond=---- sugar=---- nts=4 GGGG A.DG13,A.DG14,A.DG15,A.DG16 strand#4 U DNA glyco-bond=---- sugar=---- nts=4 GGGG A.DG19,A.DG20,A.DG21,A.DG22 loop#1 type=propeller strands=[#1,#2] nts=2 TT A.DT5,A.DT6 loop#2 type=propeller strands=[#2,#3] nts=2 TT A.DT11,A.DT12 loop#3 type=propeller strands=[#3,#4] nts=2 TT A.DT17,A.DT18 |