[English] 日本語
![](img/lk-miru.gif)
- PDB-1vaq: Crystal structure of the Mg2+-(chromomycin A3)2-d(TTGGCCAA)2 comp... -
+
Open data
-
Basic information
Entry | Database: PDB / ID: 1vaq | ||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Title | Crystal structure of the Mg2+-(chromomycin A3)2-d(TTGGCCAA)2 complex reveals GGCC binding specificity of the drug dimer chelated by metal ion | ||||||||||||||||||||||||||
![]() | 5'-D(*![]() DNA / Chromomycin A3 / MAD / DNA duplex / GGCC site / DNA kink / CD spectra | Function / homology | Chem-CPH / DNA | ![]() Biological species | synthetic construct (others) | Method | ![]() ![]() ![]() ![]() Hou, M.H. / Robinson, H. / Gao, Y.G. / Wang, A.H.-J. | ![]() ![]() Title: Crystal structure of the [Mg2+-(chromomycin A3)2]-d(TTGGCCAA)2 complex reveals GGCC binding specificity of the drug dimer chelated by a metal ion Authors: Hou, M.H. / Robinson, H. / Gao, Y.G. / Wang, A.H.-J. History |
|
-
Structure visualization
Structure viewer | Molecule: ![]() ![]() |
---|
-
Downloads & links
-
Download
PDBx/mmCIF format | ![]() | 45.9 KB | Display | ![]() |
---|---|---|---|---|
PDB format | ![]() | 33.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 3.5 MB | Display | ![]() |
---|---|---|---|---|
Full document | ![]() | 3.5 MB | Display | |
Data in XML | ![]() | 13.5 KB | Display | |
Data in CIF | ![]() | 18.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar structure data |
---|
-
Links
-
Assembly
Deposited unit | ![]()
| |||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1 | ![]()
| |||||||||||||||
2 | ![]()
| |||||||||||||||
Unit cell |
| |||||||||||||||
Components on special symmetry positions |
|
-
Components
-DNA chain , 1 types, 4 molecules ABCD
#1: DNA chain | Mass: 2426.617 Da / Num. of mol.: 4 / Source method: obtained synthetically Details: The synthetic DNA oligonucleotides were purified by gel electrophoresis. Source: (synth.) synthetic construct (others) |
---|
-Sugars , 2 types, 8 molecules
#2: Polysaccharide | 2,6-dideoxy-4-O-methyl-alpha-D-galactopyranose-(1-3)-(2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H- ...2,6-dideoxy-4-O-methyl-alpha-D-galactopyranose-(1-3)-(2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate Source method: isolated from a genetically manipulated source #3: Polysaccharide | 3-C-methyl-4-O-acetyl-alpha-L-Olivopyranose-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol- ...3-C-methyl-4-O-acetyl-alpha-L-Olivopyranose-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol Source method: isolated from a genetically manipulated source |
---|
-Non-polymers , 3 types, 289 molecules ![](data/chem/img/MG.gif)
![](data/chem/img/CPH.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/CPH.gif)
![](data/chem/img/HOH.gif)
#4: Chemical | #5: Chemical | ChemComp-CPH / ( #6: Water | ChemComp-HOH / | |
---|
-Experimental details
-Experiment
Experiment | Method: ![]() |
---|
-
Sample preparation
Crystal | Density Matthews: 1.79 Å3/Da / Density % sol: 30.91 % | ||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 5 Details: sodium-cacodylate, MgCl2, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 298K | ||||||||||||||||||||
Components of the solutions |
|
-Data collection
Diffraction | Mean temperature: 110 K |
---|---|
Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: RIGAKU / Detector: IMAGE PLATE |
Radiation | Monochromator: GRAPHITE / Protocol: MAD / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5432 Å / Relative weight: 1 |
Reflection | Resolution: 2→50 Å / Num. all: 7815 / Redundancy: 6 % / Rmerge(I) obs: 0.0055 |
-
Processing
Software |
| ||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: ![]()
| ||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2→50 Å
| ||||||||||||||||||||
Refine LS restraints |
| ||||||||||||||||||||
LS refinement shell | Resolution: 2→2.07 Å /
|