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Yorodumi- PDB-3wsb: The Tuberculosis Drug SQ109 Inhibits Trypanosoma cruzi Cell Proli... -
+Open data
-Basic information
Entry | Database: PDB / ID: 3wsb | ||||||
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Title | The Tuberculosis Drug SQ109 Inhibits Trypanosoma cruzi Cell Proliferation and acts Synergistically with Posaconazole | ||||||
Components | Farnesyltransferase, putative | ||||||
Keywords | TRANSFERASE/TRANSFERASE INHIBITOR / isoprenoids / drug discovery / Trypanosoma cruzi squalene synthase / SQ109 / FSPP / TRANSFERASE-TRANSFERASE INHIBITOR complex | ||||||
Function / homology | Function and homology information squalene synthase / farnesyl-diphosphate farnesyltransferase activity / squalene synthase activity / lipid biosynthetic process / membrane Similarity search - Function | ||||||
Biological species | Trypanosoma cruzi (eukaryote) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.4 Å | ||||||
Authors | Shang, N. / Li, Q. / Huang, C.H. / Oldfield, E. / Guo, R.T. | ||||||
Citation | Journal: To be Published Title: The Tuberculosis Drug SQ109 Inhibits Trypanosoma cruzi Cell Proliferation and acts Synergistically with Posaconazole Authors: Shang, N. / Li, Q. / Huang, C.H. / Oldfield, E. / Guo, R.T. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3wsb.cif.gz | 291.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3wsb.ent.gz | 238 KB | Display | PDB format |
PDBx/mmJSON format | 3wsb.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ws/3wsb ftp://data.pdbj.org/pub/pdb/validation_reports/ws/3wsb | HTTPS FTP |
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-Related structure data
Related structure data | 1ezfS S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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Unit cell |
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-Components
#1: Protein | Mass: 41861.809 Da / Num. of mol.: 4 / Fragment: UNP RESIDUES 25-368 / Mutation: D82E Source method: isolated from a genetically manipulated source Source: (gene. exp.) Trypanosoma cruzi (eukaryote) / Strain: CL Brener / Gene: Tc00.1047053508369.20 / Production host: Escherichia coli (E. coli) / References: UniProt: Q4CWB4, squalene synthase #2: Chemical | ChemComp-FPS / #3: Chemical | ChemComp-RWZ / #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 2.24 Å3/Da / Density % sol: 45.03 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, sitting drop / pH: 8.5 Details: 0.1M Tris, pH 8.5, 21% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: NSRRC / Beamline: BL13B1 |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Oct 5, 2013 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Relative weight: 1 |
Reflection | Resolution: 2.4→25 Å / Num. obs: 57874 / % possible obs: 97.1 % / Redundancy: 4.9 % / Rmerge(I) obs: 0.057 / Net I/σ(I): 26.1 |
Reflection shell | Resolution: 2.4→2.49 Å / Redundancy: 3.8 % / Rmerge(I) obs: 0.444 / Mean I/σ(I) obs: 2.3 / Num. unique all: 25911 / % possible all: 90 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 1EZF Resolution: 2.4→24.9 Å / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 2.4→24.9 Å
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LS refinement shell | Resolution: 2.4→2.49 Å / Rfactor Rfree: 0.341 / Rfactor Rwork: 0.296 |