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- PDB-449d: 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', BENZIMIDAZOLE DERIV... -
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Open data
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Basic information
Entry | Database: PDB / ID: 449d | ||||||||||||||||||
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Title | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', BENZIMIDAZOLE DERIVATIVE COMPLEX | ||||||||||||||||||
![]() | DNA (5'-D(*![]() DNA / B-DNA / MINOR GROOVE BINDING | Function / homology | Chem-IA / DNA / DNA (> 10) | ![]() Method | ![]() ![]() Squire, C.J. / Baker, L.J. / Clark, G.R. / Martin, R.F. / White, J. | ![]() ![]() Title: Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design. Authors: Squire, C.J. / Baker, L.J. / Clark, G.R. / Martin, R.F. / White, J. #1: ![]() Title: Intermolecular interactions and water structure in a condensed phase B-DNA crystal Authors: Clark, G.R. / Squire, C.J. / Baker, L.J. / Martin, R.F. / White, J. History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 22.8 KB | Display | ![]() |
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PDB format | ![]() | 14.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 597 KB | Display | ![]() |
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Full document | ![]() | 599.8 KB | Display | |
Data in XML | ![]() | 3.4 KB | Display | |
Data in CIF | ![]() | 4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 442dC ![]() 443dC ![]() 444dC ![]() 445dC ![]() 447dC ![]() 448dC C: citing same article ( |
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Similar 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: obtained synthetically #2: Chemical | ChemComp-IA / | #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.97 Å3/Da / Density % sol: 37.47 % | ||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7 Details: pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K | ||||||||||||||||||||||||||||||||||||||||||
Components of the solutions |
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Crystal grow | *PLUS | ||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 293 K |
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Diffraction source | Source: ![]() |
Detector | Type: BRUKER SMART / Detector: CCD / Date: Oct 11, 1997 |
Radiation | Monochromator: GRAPHITE / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.7107 Å / Relative weight: 1 |
Reflection | Highest resolution: 2.1 Å / Num. all: 3777 / Num. obs: 3777 / % possible obs: 97.9 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 5.48 % / Rmerge(I) obs: 0.095 |
Reflection shell | Resolution: 2.1→2.175 Å / Rmerge(I) obs: 0.312 |
Reflection | *PLUS Num. obs: 3281 |
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Processing
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Refinement | Resolution: 2.1→8 Å / Cross valid method: THROUGHOUT / σ(F): 2
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Refinement step | Cycle: LAST / Resolution: 2.1→8 Å
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Refine LS restraints |
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