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Yorodumi- PDB-2kze: Structure of an all-parallel-stranded G-quadruplex formed by hTER... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2kze | ||||||||||||||||||||
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Title | Structure of an all-parallel-stranded G-quadruplex formed by hTERT promoter sequence | ||||||||||||||||||||
Components | DNA (5'-D(*Keywords | DNA / anticancer targets / G-quadruplex / hTERT promoter / telomerase inhibition | Function / homology | DNA / DNA (> 10) | Function and homology information Method | SOLUTION NMR / DGSA-distance geometry simulated annealing, distance-restrained molecular dynamics | Model details | lowest energy, model 1 | Authors | Lim, K.W. / Lacroix, L. / Yue, D.J.E. / Lim, J.K.C. / Lim, J.M.W. / Phan, A.T. | Citation | Journal: J.Am.Chem.Soc. / Year: 2010 | Title: Coexistence of two distinct G-quadruplex conformations in the hTERT promoter Authors: Lim, K.W. / Lacroix, L. / Yue, D.J.E. / Lim, J.K.C. / Lim, J.M.W. / Phan, A.T. History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2kze.cif.gz | 137.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2kze.ent.gz | 114.3 KB | Display | PDB format |
PDBx/mmJSON format | 2kze.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/kz/2kze ftp://data.pdbj.org/pub/pdb/validation_reports/kz/2kze | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: DNA chain | Mass: 6356.074 Da / Num. of mol.: 1 / Source method: obtained synthetically |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||||||||||||||
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NMR experiment |
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-Sample preparation
Details |
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Sample |
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Sample conditions | Ionic strength: 90mM K+ / pH: 7 / Pressure: ambient / Temperature: 298 K |
-NMR measurement
NMR spectrometer |
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-Processing
NMR software |
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Refinement | Method: DGSA-distance geometry simulated annealing, distance-restrained molecular dynamics Software ordinal: 1 | ||||||||||||||||||||
NMR constraints | NA chi-angle constraints total count: 12 / NA epsilon-angle constraints total count: 8 / NA other-angle constraints total count: 12 / NOE constraints total: 470 / Hydrogen bond constraints total count: 48 | ||||||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 100 / Conformers submitted total number: 10 / Maximum lower distance constraint violation: 0.172 Å / Maximum upper distance constraint violation: 0.128 Å / Representative conformer: 1 | ||||||||||||||||||||
NMR ensemble rms | Distance rms dev: 0.015 Å / Distance rms dev error: 0.001 Å |