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Yorodumi- PDB-7cps: A 2:1 stoichiometric complex of anticancer drug 4'-Epiadriamycin ... -
+Open data
-Basic information
Entry | Database: PDB / ID: 7cps | ||||||||||||||||||||
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Title | A 2:1 stoichiometric complex of anticancer drug 4'-Epiadriamycin bound to parallel G-quadruplex DNA [d-(TTGGGGT)]4. | ||||||||||||||||||||
Components | DNA (5'-D(*Keywords | DNA / G-Quadruplex / Parallel stranded G-Quadruplex / 4'-Epirubicin / 4'-Epiadriamycin DNA-Drug Complex | Function / homology | 4'-EPIDOXORUBICIN / DNA | Function and homology information Biological species | Tetrahymena thermophila (eukaryote) | Method | SOLUTION NMR / simulated annealing | Authors | Barthwal, R. / Tariq, Z. / Pandav, K. | Citation | Journal: To Be Published | Title: A 2:1 stoichiometric complex of anticancer drug 4'-Epiadriamycin bound to parallel G-quadruplex DNA [d-(TTGGGGT)]4. Authors: Barthwal, R. / Tariq, Z. / Pandav, K. History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7cps.cif.gz | 207.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7cps.ent.gz | 170.5 KB | Display | PDB format |
PDBx/mmJSON format | 7cps.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 7cps_validation.pdf.gz | 493.9 KB | Display | wwPDB validaton report |
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Full document | 7cps_full_validation.pdf.gz | 654.2 KB | Display | |
Data in XML | 7cps_validation.xml.gz | 9.7 KB | Display | |
Data in CIF | 7cps_validation.cif.gz | 14.2 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/cp/7cps ftp://data.pdbj.org/pub/pdb/validation_reports/cp/7cps | HTTPS FTP |
-Related structure data
Similar structure data | |
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Other databases |
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-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: DNA chain | Mass: 2184.444 Da / Num. of mol.: 4 / Source method: obtained synthetically / Source: (synth.) Tetrahymena thermophila (eukaryote) #2: Chemical | 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: 1.03 mM DNA (5'-D(*TP*TP*GP*GP*GP*GP*T)-3'), 2.06 mM 4'-EPIDOXORUBICIN, 90% H2O/10% D2O Label: 1H / Solvent system: 90% H2O/10% D2O | ||||||||||||
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Sample |
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Sample conditions | Ionic strength: 100 mM / Label: Condition 1 / pH: 7.0 / Pressure: 1 atm / Temperature: 298 K |
-NMR measurement
NMR spectrometer | Type: Bruker AVANCE / Manufacturer: Bruker / Model: AVANCE / Field strength: 500 MHz |
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-Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 4 | ||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 20 / Conformers submitted total number: 10 |