[English] 日本語
Yorodumi- PDB-7x9f: Crystal structure of actinomycin D-echinomycin-d(AGCGCGT/ACGCGCT)... -
+Open data
-Basic information
Entry | Database: PDB / ID: 7x9f | |||||||||
---|---|---|---|---|---|---|---|---|---|---|
Title | Crystal structure of actinomycin D-echinomycin-d(AGCGCGT/ACGCGCT) complex | |||||||||
Components |
| |||||||||
Keywords | DNA/ANTIBIOTIC / G:C canonical DNA / Single-strand DNA twist / four-way junction / Echinomycin / Actinomycin D / DNA / DNA-ANTIBIOTIC complex | |||||||||
Function / homology | Actinomycin D / Echinomycin / : / 2-CARBOXYQUINOXALINE / DNA Function and homology information | |||||||||
Biological species | Streptomyces (bacteria) synthetic construct (others) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.96 Å | |||||||||
Authors | Kao, S.H. / Satange, R.B. / Hou, M.H. | |||||||||
Funding support | Taiwan, 2items
| |||||||||
Citation | Journal: Nucleic Acids Res. / Year: 2022 Title: Staggered intercalation of DNA duplexes with base-pair modulation by two distinct drug molecules induces asymmetric backbone twisting and structure polymorphism. Authors: Satange, R. / Kao, S.H. / Chien, C.M. / Chou, S.H. / Lin, C.C. / Neidle, S. / Hou, M.H. | |||||||||
History |
|
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Downloads & links
-Download
PDBx/mmCIF format | 7x9f.cif.gz | 62 KB | Display | PDBx/mmCIF format |
---|---|---|---|---|
PDB format | pdb7x9f.ent.gz | 45.5 KB | Display | PDB format |
PDBx/mmJSON format | 7x9f.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/x9/7x9f ftp://data.pdbj.org/pub/pdb/validation_reports/x9/7x9f | HTTPS FTP |
---|
-Related structure data
Related structure data | 7x6rC 7x97C 7xdjC 7dq0S S: Starting model for refinement C: citing same article (ref.) |
---|---|
Similar structure data | Similarity search - Function & homologyF&H Search |
-Links
-Assembly
Deposited unit |
| |||||||||
---|---|---|---|---|---|---|---|---|---|---|
1 |
| |||||||||
2 |
| |||||||||
Unit cell |
| |||||||||
Components on special symmetry positions |
|
-Components
-DNA chain , 2 types, 4 molecules FDOB
#1: DNA chain | Mass: 2098.399 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) #2: DNA chain | Mass: 2138.423 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) |
---|
-Protein/peptide , 2 types, 4 molecules GCHA
-Non-polymers , 3 types, 12 molecules
#5: Chemical | ChemComp-QUI / #6: Chemical | ChemComp-MN / | #7: Water | ChemComp-HOH / | |
---|
-Details
Compound details | THE ECHINOMYCIN IS A BICYCLIC OCTADEPSIPEPTIDE, A MEMBER OF THE QUINOXALINE CLASS OF ANTIBIOTICS. ...THE ECHINOMYCI |
---|---|
Has ligand of interest | N |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
---|
-Sample preparation
Crystal | Density Matthews: 3.55 Å3/Da / Density % sol: 65.31 % |
---|---|
Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 6 Details: 10 mM MES buffer (pH 6.0), 5 mM Spermine tetrahydrochloride, 2% PEG200, 3 mM Manganese chloride, 0.25 mM Oligonucleotides, 0.25 mM echinomycin, 0.125 mM actinomycin D |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
---|---|
Diffraction source | Source: SYNCHROTRON / Site: NSRRC / Beamline: BL15A1 / Wavelength: 1 Å |
Detector | Type: RAYONIX MX-300 / Detector: CCD / Date: Apr 19, 2019 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.96→30 Å / Num. obs: 4205 / % possible obs: 99.9 % / Redundancy: 7.6 % / Biso Wilson estimate: 53.86 Å2 / Rmerge(I) obs: 0.087 / Rpim(I) all: 0.034 / Rrim(I) all: 0.094 / Χ2: 1.196 / Net I/σ(I): 9.2 / Num. measured all: 31951 |
Reflection shell | Resolution: 2.96→3.07 Å / Redundancy: 8 % / Rmerge(I) obs: 0.75 / Num. unique obs: 475 / CC1/2: 0.999 / Rpim(I) all: 0.012 / Rrim(I) all: 0.032 / Χ2: 1.035 / % possible all: 100 |
-Processing
Software |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 7DQ0 Resolution: 2.96→27.8 Å / SU ML: 0.37 / Cross valid method: THROUGHOUT / σ(F): 1.36 / Phase error: 29.43 / Stereochemistry target values: ML
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 201.3 Å2 / Biso mean: 76.81 Å2 / Biso min: 35.23 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 2.96→27.8 Å
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 3
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement TLS group |
|