5LQH | pdb_00005lqh

A two-quartet G-quadruplex formed by human telomere in KCl solution at pH 5.0


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
11D 1H-15N HSQC1 mM 8% 13C, 8% 15N DNA (5'-D(*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*G)-3'), 70 mM potassium chloride90% H2O/10% D2O70 mM5.01 atm278Varian Uniform NMR System 600
22D 1H-15N HSQC NH2 only1 mM 8% 13C, 8% 15N DNA (5'-D(*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*G)-3'), 70 mM potassium chloride90% H2O/10% D2O70 mM5.01 atm278Varian Uniform NMR System 600
32D 1H-13C HSQC aromatic1 mM 8% 13C, 8% 15N DNA (5'-D(*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*G)-3'), 70 mM potassium chloride90% H2O/10% D2O70 mM5.01 atm278Varian Uniform NMR System 600
42D 1H-1H TOCSY1 mM DNA (5'-D(*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*G)-3'), 70 mM potassium chloride90% H2O/10% D2O70 mM5.01 atm278Varian Uniform NMR System 600
52D 1H-1H TOCSY1 mM DNA (5'-D(*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*G)-3'), 70 mM potassium chloride100% D2O70 mM5.01 atm278Varian Uniform NMR System 600
62D NOESY1 mM DNA (5'-D(*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*G)-3'), 70 mM potassium chloride100% D2O70 mM5.01 atm278Varian Uniform NMR System 800
92D NOESY1 mM DNA (5'-D(*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*G)-3'), 70 mM potassium chloride90% H2O/10% D2O70 mM5.01 atm278Varian Uniform NMR System 800
82D ROESY1 mM DNA (5'-D(*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*G)-3'), 70 mM potassium chloride90% H2O/10% D2O70 mM5.01 atm278Varian Uniform NMR System 600
72D DQF-COSY1 mM DNA (5'-D(*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*G)-3'), 70 mM potassium chloride100% D2O70 mM5.01 atm278Varian Uniform NMR System 600
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianUniform NMR System600
2VarianUniform NMR System800
NMR Refinement
MethodDetailsSoftware
simulated annealingAmber
NMR Ensemble Information
Conformer Selection Criteriastructures with the least restraint violations
Conformers Calculated Total Number100
Conformers Submitted Total Number10
Representative Model1 (lowest energy)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1collectionVNMRVarian
2processingVNMRVarian
3chemical shift assignmentVNMRVarian
4peak pickingSparkyGoddard
5chemical shift calculationAmber14Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman
6refinementAmber14Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman