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- PDB-289d: TARGETING THE MINOR GROOVE OF DNA: CRYSTAL STRUCTURES OF TWO COMP... -
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Open data
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Basic information
Entry | Database: PDB / ID: 289d | ||||||||||||||||||
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Title | TARGETING THE MINOR GROOVE OF DNA: CRYSTAL STRUCTURES OF TWO COMPLEXES BETWEEN FURAN DERIVATIVES OF BERENIL AND THE DNA DODECAMER D(CGCGAATTCGCG)2 | ||||||||||||||||||
![]() | DNA (5'-R(*![]() DNA / B-DNA / DOUBLE HELIX / COMPLEXED WITH DRUG | Function / homology | Chem-D19 / DNA / DNA (> 10) | ![]() Method | ![]() ![]() Trent, J.O. / Clark, G.R. / Kumar, A. / Wilson, W.D. / Boykin, D.W. / Hall, J.E. / Tidwell, R.R. / Blagburn, B.L. / Neidle, S. | ![]() ![]() Title: Targeting the minor groove of DNA: crystal structures of two complexes between furan derivatives of berenil and the DNA dodecamer d(CGCGAATTCGCG)2. Authors: Trent, J.O. / Clark, G.R. / Kumar, A. / Wilson, W.D. / Boykin, D.W. / Hall, J.E. / Tidwell, R.R. / Blagburn, B.L. / Neidle, S. #1: ![]() Title: A Crystallographic and Spectroscopic Study of the Complex Between d(CGCGAATTCGCG)2 and 2,5-Bis(4-guanylphenyl)furan, an Analogue of Berenil. Structural Origins of Enhanced DNA-binding Affinity Authors: Laughton, C.A. / Tanious, F. / Nunn, C.M. / Boykin, D.W. / Wilson, W.D. / Neidle, 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 | ![]() | 24.2 KB | Display | ![]() |
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PDB format | ![]() | 15.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 567.9 KB | Display | ![]() |
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Full document | ![]() | 568.2 KB | Display | |
Data in XML | ![]() | 4 KB | Display | |
Data in CIF | ![]() | 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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Unit cell |
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Components
#1: DNA chain | Mass: 3663.392 Da / Num. of mol.: 2 / Source method: isolated from a natural source #2: Chemical | ChemComp-D19 / | #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.33 Å3/Da / Density % sol: 47.28 % | ||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 286 K / Method: vapor diffusion, hanging drop / pH: 7 Details: pH 7.00, VAPOR DIFFUSION, HANGING DROP, temperature 286.00K | ||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions |
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Crystal grow | *PLUS Temperature: 286 K / pH: 7 | ||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 287 K |
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Diffraction source | Source: ![]() |
Detector | Type: XENTRONICS / Detector: AREA DETECTOR / Date: Sep 4, 1995 |
Radiation | Monochromator: GRAPHITE / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Highest resolution: 2.2 Å / Num. obs: 3427 / % possible obs: 91.4 % / Rmerge(I) obs: 0.088 |
Reflection | *PLUS Highest resolution: 2.2 Å / Num. all: 3748 / % possible obs: 91.4 % |
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Processing
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Refinement | Starting model: BDL001 Resolution: 2.2→8 Å / σ(F): 2 /
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Refine Biso |
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Refinement step | Cycle: LAST / Resolution: 2.2→8 Å
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Refine LS restraints |
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Software | *PLUS Name: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Highest resolution: 2.2 Å / Lowest resolution: 8 Å / σ(F): 2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |