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Yorodumi- PDB-8biw: Cystathionine gamma-lyase N360S mutant in complex with DL-proparg... -
+Open data
-Basic information
Entry | Database: PDB / ID: 8biw | ||||||||||||
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Title | Cystathionine gamma-lyase N360S mutant in complex with DL-propargylglycine | ||||||||||||
Components | Cystathionine beta-lyase, putative | ||||||||||||
Keywords | CYTOSOLIC PROTEIN / transsulfuration pathway / hydrogen sulfide / propargylglycine / toxoplasma | ||||||||||||
Function / homology | Function and homology information cystathionine gamma-lyase / L-cystine L-cysteine-lyase (deaminating) / cystathionine gamma-lyase activity / L-cysteine desulfhydrase activity / transsulfuration / pyridoxal phosphate binding / cytoplasm Similarity search - Function | ||||||||||||
Biological species | Toxoplasma gondii (eukaryote) | ||||||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.981 Å | ||||||||||||
Authors | Fernandez-Rodriguez, C. / Conter, C. / Oyenarte, I. / Favretto, F. / Quintana, I. / Martinez-Chantar, M.L. / Astegno, A. / Martinez-Cruz, L.A. | ||||||||||||
Funding support | Spain, Italy, 3items
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Citation | Journal: Protein Sci. / Year: 2023 Title: Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine. Authors: Fernandez-Rodriguez, C. / Conter, C. / Oyenarte, I. / Favretto, F. / Quintana, I. / Martinez-Chantar, M.L. / Astegno, A. / Martinez-Cruz, L.A. | ||||||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 8biw.cif.gz | 167.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb8biw.ent.gz | 130.6 KB | Display | PDB format |
PDBx/mmJSON format | 8biw.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/bi/8biw ftp://data.pdbj.org/pub/pdb/validation_reports/bi/8biw | HTTPS FTP |
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-Related structure data
Related structure data | 7nl1C 8bisC 8biuC 8bivC 8bixC 8bizC 2nmpS S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data | Similarity search - Function & homologyF&H Search |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 45954.496 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Toxoplasma gondii (eukaryote) / Gene: BN1205_096960, TGVEG_312930 / Production host: Escherichia coli (E. coli) / References: UniProt: B6K8Y1, cystathionine gamma-lyase #2: Chemical | #3: Chemical | #4: Water | ChemComp-HOH / | Has ligand of interest | Y | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 3.67 Å3/Da / Density % sol: 66.49 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, hanging drop Details: 12% (w/v) PEG 3350 0.1M sodium citrate pH 4.6, CYMAL-4 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: ALBA / Beamline: XALOC / Wavelength: 0.9791 Å |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Oct 20, 2020 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9791 Å / Relative weight: 1 |
Reflection | Resolution: 1.98→77.26 Å / Num. obs: 92916 / % possible obs: 99.4 % / Redundancy: 17.4 % / CC1/2: 0.999 / Net I/σ(I): 21.9 |
Reflection shell | Resolution: 1.98→2.01 Å / Num. unique obs: 4268 / CC1/2: 0.544 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 2NMP Resolution: 1.981→77.259 Å / SU ML: 0.2 / Cross valid method: NONE / σ(F): 1.34 / Phase error: 19.42 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.981→77.259 Å
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Refine LS restraints |
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LS refinement shell |
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