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Yorodumi- PDB-2et0: The structure of a three-way DNA junction in complex with a metal... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2et0 | ||||||||||||||||||||
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Title | The structure of a three-way DNA junction in complex with a metallo-supramolecular helicate reveals a new target for drugs | ||||||||||||||||||||
Components | 5'-D(*Keywords | DNA / Drug-DNA complex / 3-way junction / DNA structure recognition | Function / homology | : / Chem-NPM / DNA | Function and homology information Method | X-RAY DIFFRACTION / SYNCHROTRON / MAD / Resolution: 1.7 Å | Authors | Oleksi, A. / Blanco, A.G. / Boer, R. / Uson, I. / Aymami, J. / Coll, M. | Citation | Journal: ANGEW.CHEM.INT.ED.ENGL. / Year: 2006 | Title: Molecular Recognition of a Three-Way DNA Junction by a Metallosupramolecular Helicate Authors: Oleksi, A. / Blanco, A.G. / Boer, R. / Uson, I. / Aymami, J. / Rodger, A. / Hannon, M.J. / Coll, M. History |
Remark 600 | HETEROGEN The het group NPM 1, 2, 3 exists as a complex of three molecules of NPM with two FE(II) ...HETEROGEN The het group NPM 1, 2, 3 exists as a complex of three molecules of NPM with two FE(II) molecules in the structure. The IUPAC name for the complete ligand is 'tris (1,1-bis(N-(4-phenyl)-2-pyridylcaboxaldimine) methane) bis-iron(II) tetrachloride | |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2et0.cif.gz | 26.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2et0.ent.gz | 17.3 KB | Display | PDB format |
PDBx/mmJSON format | 2et0.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2et0_validation.pdf.gz | 1.4 MB | Display | wwPDB validaton report |
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Full document | 2et0_full_validation.pdf.gz | 1.4 MB | Display | |
Data in XML | 2et0_validation.xml.gz | 4.6 KB | Display | |
Data in CIF | 2et0_validation.cif.gz | 5.6 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/et/2et0 ftp://data.pdbj.org/pub/pdb/validation_reports/et/2et0 | HTTPS FTP |
-Related structure data
Similar structure data |
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-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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Components on special symmetry positions |
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Details | The asymmetric unit contains one-third of the 3-way junction, the 2nd and 3rd part are generated by the cube body diagonal 3-fold axis. For residues 10 to 16, the biological assembly is constructed by applying symops z,x,y and y,z,x |
-Components
#1: DNA chain | Mass: 1809.217 Da / Num. of mol.: 2 / Source method: obtained synthetically #2: Chemical | ChemComp-FE2 / #3: Chemical | ChemComp-NPM / #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 2 |
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-Sample preparation
Crystal | Density Matthews: 3.98 Å3/Da / Density % sol: 69.1 % | ||||||||||||||||||||||||||||
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 8.5 Details: 0.08M Mg acetate, 0.05M TrisCl, pH 8.5, 5% PEG400, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K | ||||||||||||||||||||||||||||
Components of the solutions |
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-Data collection
Diffraction |
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Diffraction source |
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Detector |
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Radiation |
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Radiation wavelength |
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Reflection | Resolution: 1.7→22.8 Å / Num. all: 7149 / Num. obs: 7149 / % possible obs: 99.2 % / Observed criterion σ(I): -3 / Redundancy: 50 % / Rmerge(I) obs: 0.0537 / Net I/σ(I): 29.1 | ||||||||||||||||||
Reflection shell | Highest resolution: 1.7 Å / % possible all: 97.8 |
-Processing
Software |
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Refinement | Method to determine structure: MAD / Resolution: 1.7→22.5 Å / Isotropic thermal model: isotropic / Cross valid method: THROUGHOUT / σ(F): 4 / σ(I): 4 / Stereochemistry target values: Engh & Huber
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Displacement parameters | Biso mean: 23.45 Å2 | |||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.7→22.5 Å
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Refine LS restraints |
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