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Yorodumi- PDB-6ang: Crystal structure of PPK2 Class III in the complex with AMP from ... -
+Open data
-Basic information
Entry | Database: PDB / ID: 6ang | ||||||
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Title | Crystal structure of PPK2 Class III in the complex with AMP from Cytophaga hutchinsonii ATCC 33406 | ||||||
Components | Polyphosphate:AMP phosphotransferase | ||||||
Keywords | TRANSFERASE / PPK2 / AMP / kinase | ||||||
Function / homology | Function and homology information Transferases; Transferring phosphorus-containing groups; Phosphotransferases with a phosphate group as acceptor / polyphosphate kinase activity / polyphosphate metabolic process Similarity search - Function | ||||||
Biological species | Cytophaga hutchinsonii (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.45 Å | ||||||
Authors | Nocek, B. / Joachimiak, A. / Yakunin, A. | ||||||
Citation | Journal: Acs Catalysis / Year: 2018 Title: Structural Insights into Substrate Selectivity and Activity of Bacterial Polyphosphate Kinases Authors: Nocek, B. / Khusnutdinova, A.N. / Ruszkowski, M. / Flick, R. / Burda, M. / Batyrova, K. / Brown, G. / Mucha, A. / Joachimiak, A. / Berlicki, L. / Yakunin, A.F. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6ang.cif.gz | 78.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6ang.ent.gz | 57.2 KB | Display | PDB format |
PDBx/mmJSON format | 6ang.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/an/6ang ftp://data.pdbj.org/pub/pdb/validation_reports/an/6ang | HTTPS FTP |
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-Related structure data
Related structure data | 6an9C 6anhC 6aqeC 6aqnC 6au0C 6b18C 3rhfS 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: 35305.270 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Cytophaga hutchinsonii (strain ATCC 33406 / NCIMB 9469) (bacteria) Strain: ATCC 33406 / NCIMB 9469 / Gene: CHU_0107 Production host: Escherichia coli 'BL21-Gold(DE3)pLysS AG' (bacteria) References: UniProt: Q11YW6, Transferases; Transferring phosphorus-containing groups; Phosphotransferases with a phosphate group as acceptor |
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#2: Chemical | ChemComp-AMP / |
#3: Chemical | ChemComp-CL / |
#4: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 3.89 Å3/Da / Density % sol: 68.39 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 4 Details: 0.8 Ammonium Sulfate 0.1M NaCL 0.1 M Sodium Citrate:HCl pH 4 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 0.9794 Å |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Jan 1, 2016 |
Radiation | Monochromator: double crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9794 Å / Relative weight: 1 |
Reflection | Resolution: 2.45→40 Å / Num. obs: 20573 / % possible obs: 98.5 % / Redundancy: 5.6 % / Rmerge(I) obs: 0.12 / Net I/σ(I): 12 |
Reflection shell | Resolution: 2.45→2.49 Å |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 3RHF Resolution: 2.45→39.32 Å / Cor.coef. Fo:Fc: 0.94 / Cor.coef. Fo:Fc free: 0.927 / SU B: 6.95 / SU ML: 0.151 / Cross valid method: THROUGHOUT / ESU R: 0.278 / ESU R Free: 0.213 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 38.458 Å2
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Refinement step | Cycle: 1 / Resolution: 2.45→39.32 Å
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Refine LS restraints |
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