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Yorodumi- PDB-4ap9: Crystal structure of phosphoserine phosphatase from T. onnurineus... -
+Open data
-Basic information
Entry | Database: PDB / ID: 4ap9 | ||||||
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Title | Crystal structure of phosphoserine phosphatase from T. onnurineus in complex with NDSB-201 | ||||||
Components | PHOSPHOSERINE PHOSPHATASE | ||||||
Keywords | HYDROLASE / HALOACID DEHALOGENASE SUPERFAMILY / NDSB | ||||||
Function / homology | Function and homology information phosphoserine phosphatase / L-serine biosynthetic process / hydrolase activity / magnesium ion binding / cytoplasm Similarity search - Function | ||||||
Biological species | THERMOCOCCUS ONNURINEUS (archaea) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 1.783 Å | ||||||
Authors | Jung, T.-Y. / Kim, Y.-S. / Song, H.-N. / Woo, E. | ||||||
Citation | Journal: Proteins / Year: 2013 Title: Identification of a Novel Ligand Binding Site in Phosphoserine Phosphatase from the Hyperthermophilic Archaeon Thermococcus Onnurineus. Authors: Jung, T.-Y. / S-Kim, Y. / Oh, B.H. / Woo, E. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4ap9.cif.gz | 188.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4ap9.ent.gz | 152.1 KB | Display | PDB format |
PDBx/mmJSON format | 4ap9.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 4ap9_validation.pdf.gz | 460.8 KB | Display | wwPDB validaton report |
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Full document | 4ap9_full_validation.pdf.gz | 470.5 KB | Display | |
Data in XML | 4ap9_validation.xml.gz | 44.8 KB | Display | |
Data in CIF | 4ap9_validation.cif.gz | 62.3 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ap/4ap9 ftp://data.pdbj.org/pub/pdb/validation_reports/ap/4ap9 | HTTPS FTP |
-Related structure data
-Links
-Assembly
Deposited unit |
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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 23346.908 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) THERMOCOCCUS ONNURINEUS (archaea) / Description: ARAD139, GALE15, GALK16 / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): MC1061 / References: UniProt: B6YX36, phosphoserine phosphatase #2: Chemical | ChemComp-1PS / #3: Water | ChemComp-HOH / | Has protein modification | Y | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 3 |
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-Sample preparation
Crystal | Density Matthews: 2.94 Å3/Da / Density % sol: 58 % / Description: NONE |
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Crystal grow | pH: 6.5 / Details: 1.45M SODIUM CITRATE, 0.2M NDSB-201, pH 6.5 |
-Data collection
Diffraction | Mean temperature: 294 K |
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Diffraction source | Source: SYNCHROTRON / Site: Photon Factory / Beamline: AR-NW12A / Wavelength: 0.979 |
Detector | Date: Feb 18, 2011 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.979 Å / Relative weight: 1 |
Reflection | Resolution: 1.78→28.65 Å / Num. obs: 91927 / % possible obs: 94.2 % / Observed criterion σ(I): 0 / Redundancy: 4.7 % / Biso Wilson estimate: 17.33 Å2 / Rmerge(I) obs: 0.07 / Net I/σ(I): 21.4 |
Reflection shell | Resolution: 1.78→1.81 Å / Redundancy: 3.8 % / Rmerge(I) obs: 0.46 / Mean I/σ(I) obs: 2.7 / % possible all: 98.1 |
-Processing
Software |
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Refinement | Method to determine structure: SAD Starting model: NONE Resolution: 1.783→28.651 Å / SU ML: 0.22 / σ(F): 0 / Phase error: 21.69 / Stereochemistry target values: ML Details: RESIDUE -6 TO 0 ARE DERIVED FROM PURIFICATION TAG IN EACH MONOMER
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Solvent computation | Shrinkage radii: 0.83 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 31.361 Å2 / ksol: 0.357 e/Å3 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 19.25 Å2
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Refinement step | Cycle: LAST / Resolution: 1.783→28.651 Å
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Refine LS restraints |
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LS refinement shell |
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