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- PDB-1ftd: 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'-SYMMETRIC BIS-BENZIM... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1ftd | ||||||||||||||||||
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Title | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'-SYMMETRIC BIS-BENZIMIDAZOLE COMPLEX | ||||||||||||||||||
![]() | DNA (5'-D(*![]() DNA / MINOR GROOVE BINDING | Function / homology | Chem-E97 / DNA / DNA (> 10) | ![]() Method | ![]() ![]() Mann, J. / Baron, A. / Opoku-Boahen, Y. / Johansson, E. / Parkinson, G. / Kelland, L.R. / Neidle, S. | ![]() ![]() Title: A new class of symmetric bisbenzimidazole-based DNA minor groove-binding agents showing antitumor activity. Authors: Mann, J. / Baron, A. / Opoku-Boahen, Y. / Johansson, E. / Parkinson, G. / Kelland, L.R. / 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 | ![]() | 26.9 KB | Display | ![]() |
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PDB format | ![]() | 17 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 568.4 KB | Display | ![]() |
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Full document | ![]() | 575 KB | Display | |
Data in XML | ![]() | 5.1 KB | Display | |
Data in CIF | ![]() | 6.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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-MG / | #3: Chemical | ChemComp-E97 / [ | #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.16 Å3/Da / Density % sol: 42.95 % | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 284 K / Method: vapor diffusion, hanging drop / pH: 6.8 Details: SODIUM CACODYLATE, MPD, SPERMINE TETRAHYDROCHLORIDE, NACL, MGCL2, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 284K | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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: 100 K |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU RAXIS IV++ / Detector: IMAGE PLATE / Date: Dec 1, 1999 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2→20 Å / Num. all: 4891 / Num. obs: 4427 / % possible obs: 92.9 % / Observed criterion σ(I): 3 / Redundancy: 1.1 % / Rmerge(I) obs: 0.04 / Net I/σ(I): 27.9 |
Reflection shell | Resolution: 2→2.03 Å / Rmerge(I) obs: 0.1 |
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Processing
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Refinement | Resolution: 2→8 Å / σ(F): 4
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Refinement step | Cycle: LAST / Resolution: 2→8 Å
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Software | *PLUS Name: SHELXL-97 / Classification: refinement | ||||||||||||||||||||
Refinement | *PLUS Highest resolution: 2 Å / Lowest resolution: 8 Å / σ(F): 4 / % reflection Rfree: 10 % | ||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||
Refine LS restraints | *PLUS
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