+Open data
-Basic information
Entry | Database: PDB / ID: 2f9t | ||||||
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Title | Structure of the type III CoaA from Pseudomonas aeruginosa | ||||||
Components | Pantothenate Kinase | ||||||
Keywords | TRANSFERASE / Pantothenate kinase / CoaA | ||||||
Function / homology | Function and homology information pantothenate kinase / pantothenate kinase activity / coenzyme A biosynthetic process / phosphorylation / response to antibiotic / ATP binding / metal ion binding / cytoplasm Similarity search - Function | ||||||
Biological species | Pseudomonas aeruginosa (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MAD / Resolution: 2.2 Å | ||||||
Authors | Leonardi, R. / Yun, M.K. / Chohnan, S. / White, S.W. / Rock, C.O. / Jackowski, S. | ||||||
Citation | Journal: Structure / Year: 2006 Title: Prokaryotic Type II and Type III Pantothenate Kinases: The Same Monomer Fold Creates Dimers with Distinct Catalytic Properties. Authors: Hong, B.S. / Yun, M.K. / Zhang, Y.M. / Chohnan, S. / Rock, C.O. / White, S.W. / Jackowski, S. / Park, H.W. / Leonardi, R. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2f9t.cif.gz | 103.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2f9t.ent.gz | 84.5 KB | Display | PDB format |
PDBx/mmJSON format | 2f9t.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/f9/2f9t ftp://data.pdbj.org/pub/pdb/validation_reports/f9/2f9t | HTTPS FTP |
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-Related 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: 29622.830 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas aeruginosa (bacteria) / Strain: PAO1 / Plasmid: pET-28a / Production host: Escherichia coli (E. coli) / Strain (production host): Rosetta(DE3) / References: UniProt: Q9HWC1, pantothenate kinase #2: 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: 3.15 Å3/Da / Density % sol: 60.92 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: water, Tirs-HCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291.0K |
-Data collection
Diffraction | Mean temperature: 100 K | ||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 0.97946, 0.97970, 0.97178 | ||||||||||||
Detector | Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Aug 7, 2005 | ||||||||||||
Radiation | Protocol: MAD / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | ||||||||||||
Radiation wavelength |
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Reflection | Resolution: 2.2→50 Å / Num. all: 38666 / Num. obs: 38666 / % possible obs: 98.3 % / Observed criterion σ(I): -3 / Redundancy: 7.1 % / Biso Wilson estimate: 28.2 Å2 / Rsym value: 0.01 / Net I/σ(I): 20.8 | ||||||||||||
Reflection shell | Resolution: 2.2→2.28 Å / Redundancy: 5 % / Mean I/σ(I) obs: 2.2 / Rsym value: 0.45 / % possible all: 86.8 |
-Processing
Software |
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Refinement | Method to determine structure: MAD / Resolution: 2.2→49.98 Å / Rfactor Rfree error: 0.006 / Data cutoff high absF: 374363.91 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 62.7232 Å2 / ksol: 0.365721 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 44.1 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.2→49.98 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.2→2.28 Å / Rfactor Rfree error: 0.027 / Total num. of bins used: 10
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Xplor file |
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