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Yorodumi- PDB-7zu9: CRYSTAL STRUCTURE OF THE C89A_C113A GMP SYNTHETASE INACTIVE DOUBL... -
+Open data
-Basic information
Entry | Database: PDB / ID: 7zu9 | ||||||
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Title | CRYSTAL STRUCTURE OF THE C89A_C113A GMP SYNTHETASE INACTIVE DOUBLE MUTANT FROM PLASMODIUM FALCIPARUM | ||||||
Components | Glutamine amidotransferase | ||||||
Keywords | LIGASE / GMP SYNTHETASE / PURINE SALVAGE PATHWAY | ||||||
Function / homology | Function and homology information Purine ribonucleoside monophosphate biosynthesis / Azathioprine ADME / GMP synthase activity / GMP synthase (glutamine-hydrolyzing) activity / GMP synthase (glutamine-hydrolysing) / GMP biosynthetic process / purine nucleotide biosynthetic process / glutamine metabolic process / magnesium ion binding / ATP binding / cytosol Similarity search - Function | ||||||
Biological species | Plasmodium falciparum 3D7 (eukaryote) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.8 Å | ||||||
Authors | Ballut, L. / Violot, S. / Aghajari, N. | ||||||
Funding support | France, 1items
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Citation | Journal: Biomolecules / Year: 2022 Title: Tertiary and Quaternary Structure Organization in GMP Synthetases: Implications for Catalysis. Authors: Ballut, L. / Violot, S. / Galisson, F. / Goncalves, I.R. / Martin, J. / Shivakumaraswamy, S. / Carrique, L. / Balaram, H. / Aghajari, N. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7zu9.cif.gz | 218.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7zu9.ent.gz | 172.1 KB | Display | PDB format |
PDBx/mmJSON format | 7zu9.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/zu/7zu9 ftp://data.pdbj.org/pub/pdb/validation_reports/zu/7zu9 | HTTPS FTP |
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-Related structure data
Related structure data | 4wimS 4winS 4wioS S: Starting model for refinement |
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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: 65423.477 Da / Num. of mol.: 1 / Mutation: C89A and C113A Source method: isolated from a genetically manipulated source Details: The studied GMP synthetase has been mutated on Cys89 to Ala and on Cys113 to Ala Source: (gene. exp.) Plasmodium falciparum 3D7 (eukaryote) / Strain: isolate 3D7 / Gene: PF3D7_1012600 / Plasmid: PET21B / Production host: Escherichia coli (E. coli) References: UniProt: Q8IJR9, GMP synthase (glutamine-hydrolysing) |
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#2: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal grow | Temperature: 298 K / Method: vapor diffusion, sitting drop Details: 16 % polyethylene glycol (PEG) 3350, 0.06 M sodium citrate (pH 2.3) and 0.04 M Bis-Tris propane (pH 9.7) |
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-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID30B / Wavelength: 0.8729 Å |
Detector | Type: DECTRIS PILATUS 2M / Detector: PIXEL / Date: Feb 14, 2016 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.8729 Å / Relative weight: 1 |
Reflection | Resolution: 2.8→28.16 Å / Num. obs: 9228 / % possible obs: 92.3 % / Redundancy: 2.6 % / CC1/2: 0.99 / Net I/σ(I): 9.3 |
Reflection shell | Resolution: 2.8→3.2 Å / Num. unique obs: 2928 / CC1/2: 0.74 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 4WIO, 4WIM, 4WIN Resolution: 2.8→28.16 Å / Cross valid method: FREE R-VALUE / σ(F): 2.35 / Phase error: 30.39 / Stereochemistry target values: TWIN_LSQ_F
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.8→28.16 Å
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Refine LS restraints |
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LS refinement shell |
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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