+Open data
-Basic information
Entry | Database: PDB / ID: 6jwe | ||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Title | structure of RET G-quadruplex in complex with colchicine | ||||||||||||||||||||
Components | DNA (5'-D(*Keywords | DNA / RET / G-quadruplex / colchicine | Function / homology | Chem-LOC / DNA / DNA (> 10) | Function and homology information Biological species | Homo sapiens (human) | Method | SOLUTION NMR / simulated annealing | Authors | Wang, F. / Wang, C. / Liu, Y. / Lan, W.X. / Li, Y.M. / Wang, R.X. / Cao, C. | Citation | History |
|
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Downloads & links
-Download
PDBx/mmCIF format | 6jwe.cif.gz | 269.3 KB | Display | PDBx/mmCIF format |
---|---|---|---|---|
PDB format | pdb6jwe.ent.gz | 226.3 KB | Display | PDB format |
PDBx/mmJSON format | 6jwe.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 6jwe_validation.pdf.gz | 519.9 KB | Display | wwPDB validaton report |
---|---|---|---|---|
Full document | 6jwe_full_validation.pdf.gz | 636.9 KB | Display | |
Data in XML | 6jwe_validation.xml.gz | 30 KB | Display | |
Data in CIF | 6jwe_validation.cif.gz | 39.3 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/jw/6jwe ftp://data.pdbj.org/pub/pdb/validation_reports/jw/6jwe | HTTPS FTP |
-Related structure data
Related structure data | 6jwdC C: citing same article (ref.) |
---|---|
Similar structure data | |
Other databases |
|
-Links
-Assembly
Deposited unit |
| |||||||||
---|---|---|---|---|---|---|---|---|---|---|
1 |
| |||||||||
NMR ensembles |
|
-Components
#1: DNA chain | Mass: 6394.074 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human) |
---|---|
#2: Chemical | ChemComp-LOC / |
Has ligand of interest | Y |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NMR experiment |
|
-Sample preparation
Details | Type: solution Contents: 0.8 mM RET G4-DNA, 0.96 mM COLCHICINE, 20 mM Potassium Phosphate Monobasic, 80 mM potassium chloride, 90% H2O/10% D2O Label: RET G4-DNA colchicine sample / Solvent system: 90% H2O/10% D2O | ||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sample |
| ||||||||||||||||||||
Sample conditions | Ionic strength: 100 mM / Label: RET G4 colchicine solution complex / pH: 6.8 / Pressure: 1 atm / Temperature: 293 K |
-NMR measurement
NMR spectrometer | Type: Agilent INOVA / Manufacturer: Agilent / Model: INOVA / Field strength: 600 MHz |
---|
-Processing
NMR software |
| |||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method: simulated annealing / Software ordinal: 2 | |||||||||||||||
NMR representative | Selection criteria: closest to the average | |||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 100 / Conformers submitted total number: 20 |