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Open data
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Basic information
Entry | Database: PDB / ID: 8xgw | ||||||||||||||||||||||||||||
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Title | Solution structure of d(CGATCG)2-Baicalein complex | ||||||||||||||||||||||||||||
![]() | DNA (5'-D(*![]() DNA / Oncogene / gene regulation / DNA-ligand complex / flavone | Function / homology | 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one / DNA | ![]() Biological species | synthetic construct (others) | Method | SOLUTION NMR / Distance restraints | ![]() Nair, M.S. / Kumar, S. | Funding support | 1items |
![]() ![]() Title: Solution structure of d(CACGTG)2-Baicalein complex. Authors: Nair, M.S. / Kumar, S. History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 82.6 KB | Display | ![]() |
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PDB format | ![]() | 56.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 471.9 KB | Display | ![]() |
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Full document | ![]() | 627.9 KB | Display | |
Data in XML | ![]() | 25.5 KB | Display | |
Data in CIF | ![]() | 30.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar structure data | Similarity search - Function & homology ![]() |
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Other databases |
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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: 1809.217 Da / Num. of mol.: 2 / Source method: obtained synthetically / Details: Baicalein (5,6,7-trihydroxyflavone) / Source: (synth.) synthetic construct (others) #2: Chemical | ChemComp-3WL / | Has ligand of interest | Y | |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||
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NMR experiment |
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Sample preparation
Details | Type: solution / Contents: 2.56 % w/v Hexamer DNA-Baicalein, 90% H2O/10% D2O Details: Hexamer DNA-Baicalein in Phosphate buffer (20mM), 10 mM and NaCl, at 300K Label: Hexamer DNA-Baicalein / Solvent system: 90% H2O/10% D2O |
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Sample | Conc.: 2.56 % w/v / Component: Hexamer DNA-Baicalein / Isotopic labeling: natural abundance |
Sample conditions | Ionic strength: 10 mM / Label: Condition_1 / pH: 7.2 / Pressure: 1 atm / Temperature: 300 K |
-NMR measurement
NMR spectrometer | Type: Bruker AVANCE III / Manufacturer: Bruker / Model: AVANCE III / Field strength: 800 MHz |
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Processing
NMR software |
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Refinement | Method: Distance restraints / Software ordinal: 1 | ||||||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 500 / Conformers submitted total number: 8 |