|Entry||Database: PDB / ID: 2aqy|
|Title||(3+1) assembly of three human telomeric DNA repeats into an asymmetrical dimeric G-quadruplex|
|Keywords||DNA / (3+1) G-quadruplex assembly / asymmetric dimeric G-quadruplex / telomeric DNA.|
|Function / homology||DNA / DNA (> 10)|
Function and homology information
|Method||SOLUTION NMR / distance geometry simulated annealing, molecular dynamics matrix relaxation|
|Authors||Zhang, N. / Phan, A.T. / Patel, D.J.|
|Citation||Journal: J.Am.Chem.Soc. / Year: 2005|
Title: (3 + 1) Assembly of three human telomeric repeats into an asymmetric dimeric G-quadruplex
Authors: Zhang, N. / Phan, A.T. / Patel, D.J.
|Structure viewer||Molecule: |
Downloads & links
|#1: DNA chain|| |
Mass: 5050.259 Da / Num. of mol.: 1 / Fragment: three repeats of human telomeric DNA / Mutation: G2(OIP) / Source method: obtained synthetically
Details: This sequence occurs naturally in homo sapiens (human).
|#2: DNA chain|| |
Mass: 1850.226 Da / Num. of mol.: 1 / Fragment: single repeats of human telomeric DNA / Mutation: T22(DU) / Source method: obtained synthetically / Details: T22(DU) mutation
|Experiment||Method: SOLUTION NMR|
|Radiation||Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M|
|Radiation wavelength||Relative weight: 1|
|NMR spectrometer||Type: Varian INOVA / Manufacturer: Varian / Model: INOVA / Field strength: 600 MHz|
|Refinement||Method: distance geometry simulated annealing, molecular dynamics matrix relaxation|
Software ordinal: 1
Details: Additional comments about the NMR refinement can be placed here, e.g. the structures are based on a total of 517 restraints, 466 are NOE-derived distance constraints, 22 dihedral angle ...Details: Additional comments about the NMR refinement can be placed here, e.g. the structures are based on a total of 517 restraints, 466 are NOE-derived distance constraints, 22 dihedral angle restraints,51 distance restraints from hydrogen bonds.
|NMR representative||Selection criteria: lowest energy|
|NMR ensemble||Conformer selection criteria: all calculated structures submitted,back calculated data agree with experimental NOESY spectrum,structures with acceptable covalent geometry,structures with favorable ...Conformer selection criteria: all calculated structures submitted,back calculated data agree with experimental NOESY spectrum,structures with acceptable covalent geometry,structures with favorable non-bond energy,structures with the least restraint violations,structures with the lowest energy,target function|
Conformers calculated total number: 10 / Conformers submitted total number: 10
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