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Yorodumi- PDB-5o6m: Structure of Polyphosphate Kinase from Meiothermus ruber N121D bo... -
+Open data
-Basic information
Entry | Database: PDB / ID: 5o6m | ||||||
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Title | Structure of Polyphosphate Kinase from Meiothermus ruber N121D bound to ATP | ||||||
Components | Polyphosphate:AMP phosphotransferase | ||||||
Keywords | TRANSFERASE / Polyphosphate Kinase type 2 class III | ||||||
Function / homology | Function and homology information phosphotransferase activity, phosphate group as acceptor / Transferases; Transferring phosphorus-containing groups; Phosphotransferases with a phosphate group as acceptor / polyphosphate kinase activity / polyphosphate metabolic process / kinase activity / phosphorylation Similarity search - Function | ||||||
Biological species | Meiothermus ruber H328 (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.3 Å | ||||||
Authors | Kemper, F. / Gerhardt, S. / Einsle, O. | ||||||
Citation | Journal: Proc. Natl. Acad. Sci. U.S.A. / Year: 2018 Title: Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures. Authors: Parnell, A.E. / Mordhorst, S. / Kemper, F. / Giurrandino, M. / Prince, J.P. / Schwarzer, N.J. / Hofer, A. / Wohlwend, D. / Jessen, H.J. / Gerhardt, S. / Einsle, O. / Oyston, P.C.F. / Andexer, J.N. / Roach, P.L. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5o6m.cif.gz | 242.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5o6m.ent.gz | 195.4 KB | Display | PDB format |
PDBx/mmJSON format | 5o6m.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/o6/5o6m ftp://data.pdbj.org/pub/pdb/validation_reports/o6/5o6m | HTTPS FTP |
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-Related structure data
Related structure data | 5lc9SC 5lcdC 5ld1C 5ldbC 5ll0C 5llbC 5llfC 5maqC 5o6kC S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 31607.961 Da / Num. of mol.: 4 / Mutation: N121D Source method: isolated from a genetically manipulated source Source: (gene. exp.) Meiothermus ruber H328 (bacteria) / Gene: MrH_2468 / Production host: Escherichia coli (E. coli) / References: UniProt: A0A0S7ASE9, UniProt: M9XB82*PLUS #2: Chemical | ChemComp-ATP / #3: Chemical | ChemComp-PO4 / #4: Water | ChemComp-HOH / | |
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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: 2.55 Å3/Da / Density % sol: 51.74 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 8.5 Details: 100 mM Tris/HCl pH 8.5 200 mM Li2SO4 27 % (w/v) PEG3350 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SLS / Beamline: X06DA / Wavelength: 1 Å |
Detector | Type: DECTRIS PILATUS 2M / Detector: PIXEL / Date: Apr 9, 2017 / Details: MIRROR |
Radiation | Monochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.3→47.56 Å / Num. obs: 58486 / % possible obs: 100 % / Redundancy: 26.4 % / CC1/2: 1 / Rmerge(I) obs: 0.133 / Rpim(I) all: 0.026 / Net I/σ(I): 22.1 |
Reflection shell | Resolution: 2.3→2.36 Å / Redundancy: 27.6 % / Rmerge(I) obs: 1.659 / Mean I/σ(I) obs: 2.9 / Num. unique obs: 4452 / CC1/2: 0.928 / Rpim(I) all: 0.32 / % possible all: 100 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 5LC9 Resolution: 2.3→47.532 Å / SU ML: 0.26 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 25.59 / 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: 2.3→47.532 Å
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Refine LS restraints |
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LS refinement shell |
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