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Yorodumi- PDB-6q6j: Human phosphoserine phosphatase with substrate analogue homo-cyst... -
+Open data
-Basic information
Entry | Database: PDB / ID: 6q6j | ||||||
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Title | Human phosphoserine phosphatase with substrate analogue homo-cysteic acid | ||||||
Components | Phosphoserine phosphatase | ||||||
Keywords | HYDROLASE / Human phosphoserine phosphatase | ||||||
Function / homology | Function and homology information phosphoserine phosphatase / Serine biosynthesis / L-phosphoserine phosphatase activity / L-serine metabolic process / L-serine biosynthetic process / response to testosterone / response to mechanical stimulus / dephosphorylation / response to nutrient levels / in utero embryonic development ...phosphoserine phosphatase / Serine biosynthesis / L-phosphoserine phosphatase activity / L-serine metabolic process / L-serine biosynthetic process / response to testosterone / response to mechanical stimulus / dephosphorylation / response to nutrient levels / in utero embryonic development / magnesium ion binding / protein homodimerization activity / identical protein binding / cytosol / cytoplasm Similarity search - Function | ||||||
Biological species | Homo sapiens (human) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 1.985 Å | ||||||
Authors | Wouters, J. / Haufroid, M. / Mirgaux, M. | ||||||
Citation | Journal: Acta Crystallogr D Struct Biol / Year: 2019 Title: Crystal structures and snapshots along the reaction pathway of human phosphoserine phosphatase. Authors: Haufroid, M. / Mirgaux, M. / Leherte, L. / Wouters, J. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6q6j.cif.gz | 104.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6q6j.ent.gz | 78.8 KB | Display | PDB format |
PDBx/mmJSON format | 6q6j.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/q6/6q6j ftp://data.pdbj.org/pub/pdb/validation_reports/q6/6q6j | HTTPS FTP |
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-Related structure data
Related structure data | 6hyjC 6hyySC 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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2 |
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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 24454.008 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: PSPH / Plasmid: pet 28 b / Production host: Escherichia coli BL21(DE3) / References: UniProt: P78330, phosphoserine phosphatase #2: Chemical | #3: Chemical | ChemComp-HJT / ( | #4: Chemical | ChemComp-CL / | #5: 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: 2.59 Å3/Da / Density % sol: 52.51 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: Sodium cacodylate 0.1M pH6.5; CaCl2 0.3M; PEG 2000 20%; DMSO 4% |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: SOLEIL / Beamline: PROXIMA 1 / Wavelength: 0.97857 Å |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Sep 30, 2018 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97857 Å / Relative weight: 1 |
Reflection | Resolution: 1.985→40.943 Å / Num. obs: 35482 / % possible obs: 99.55 % / Redundancy: 2 % / Biso Wilson estimate: 37.51 Å2 / CC1/2: 1 / Rmerge(I) obs: 0.01873 / Rpim(I) all: 0.01873 / Rrim(I) all: 0.02649 / Net I/σ(I): 17.4 |
Reflection shell | Resolution: 1.985→2.056 Å / Redundancy: 2 % / Rmerge(I) obs: 0.2331 / Mean I/σ(I) obs: 2.29 / Num. unique obs: 3380 / CC1/2: 0.969 / Rpim(I) all: 0.2331 / Rrim(I) all: 0.3296 / % possible all: 96.24 |
-Phasing
Phasing | Method: molecular replacement | |||||||||
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Phasing MR |
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-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 6HYY Resolution: 1.985→40.943 Å / SU ML: 0.29 / Cross valid method: THROUGHOUT / σ(F): 1.35 / Phase error: 26.39
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 136.27 Å2 / Biso mean: 46.1001 Å2 / Biso min: 21.93 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 1.985→40.943 Å
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 13
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