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- PDB-1pqt: REFINEMENT OF d(GCGAAGC) HAIRPIN STRUCTURE USING ONE- AND TWO-BON... -
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Basic information
Entry | Database: PDB / ID: 1pqt | ||||||||||||||||||
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Title | REFINEMENT OF d(GCGAAGC) HAIRPIN STRUCTURE USING ONE- AND TWO-BOND RESIDUAL DIPOLAR COUPLINGS | ||||||||||||||||||
![]() | 5'-D(*![]() DNA / HAIRPIN / GA MISMATCH | Function / homology | DNA | ![]() Method | SOLUTION NMR / molecular dynamics | ![]() Padrta, P. / Stefl, R. / Zidek, L. / Sklenar, V. | ![]() ![]() Title: Refinement of d(GCGAAGC) Hairpin Structure Using One- and Two-Bond Residual Dipolar Couplings Authors: Padrta, P. / Stefl, R. / Kralik, L. / Zidek, L. / Sklenar, V. History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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PDBx/mmCIF format | ![]() | 57.8 KB | Display | ![]() |
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PDB format | ![]() | 38.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
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-Validation report
Summary document | ![]() | 298.5 KB | Display | ![]() |
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Full document | ![]() | 358.9 KB | Display | |
Data in XML | ![]() | 3.2 KB | Display | |
Data in CIF | ![]() | 4.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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NMR ensembles |
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Components
#1: DNA chain | Mass: 2147.437 Da / Num. of mol.: 1 / Source method: obtained synthetically Details: THIS SEQUENCE OCCURS NATURALLY IN REPLICATION ORIGINS OF PHAGE PHIX174, IN HERPES SIMPLEX VIRUS, IN E. COLI HEAT-SHOCK GENE AND RRNA GENES. |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||
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NMR experiment |
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NMR details | Text: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR SPECTROSCOPY IN ISOTROPIC AND LIQUID CRYSTALLINE PHASE. |
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Sample preparation
Details | Contents: 6MM NATURAL ABUNDANCE D(GCGAAGC), 10MM PHOSPHATE BUFFER NA, D2O; 6MM NATURAL ABUNDANCE D(GCGAAGC), 10MM PHOSPHATE BUFFER NA, 90% H2O, 10% D2O; U-15N,13C, 0.5MM D(GCGAAGC), 10MM PHOSPHATE ...Contents: 6MM NATURAL ABUNDANCE D(GCGAAGC), 10MM PHOSPHATE BUFFER NA, D2O; 6MM NATURAL ABUNDANCE D(GCGAAGC), 10MM PHOSPHATE BUFFER NA, 90% H2O, 10% D2O; U-15N,13C, 0.5MM D(GCGAAGC), 10MM PHOSPHATE BUFFER NA, 90% H2O, 10% D2O |
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Sample conditions | Ionic strength: 10 mM / pH: 6.7 / Pressure: 1 atm / Temperature: 303 K |
Crystal grow | *PLUS Method: other / Details: NMR |
-NMR measurement
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M |
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Radiation wavelength | Relative weight: 1 |
NMR spectrometer | Type: Bruker AVANCE / Manufacturer: Bruker / Model: AVANCE / Field strength: 500 MHz |
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Processing
NMR software |
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Refinement | Method: molecular dynamics / Software ordinal: 1 | ||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: all calculated structures submitted Conformers calculated total number: 14 / Conformers submitted total number: 14 |