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Yorodumi- PDB-6py9: Crystal structure of red kidney bean purple acid phosphatase in c... -
+Open data
-Basic information
Entry | Database: PDB / ID: 6py9 | ||||||||||||
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Title | Crystal structure of red kidney bean purple acid phosphatase in complex with adenosine diphosphate metavanadate | ||||||||||||
Components | Fe(3+)-Zn(2+) purple acid phosphatase | ||||||||||||
Keywords | METAL BINDING PROTEIN / Hydrolase / Purple acid phosphatase / metallohydrolases / catalysis / phytase / ATPase / agricultural biotechnology | ||||||||||||
Function / homology | Function and homology information acid phosphatase / acid phosphatase activity / ferric iron binding / zinc ion binding / extracellular region Similarity search - Function | ||||||||||||
Biological species | Phaseolus vulgaris (French bean) | ||||||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.2 Å | ||||||||||||
Authors | Feder, D. / Schenk, G. / Guddat, L.W. / McGeary, R.P. / Mitic, N. / Furtado, A. / Schulz, B.L. / Henry, R.J. / Schmidt, S. | ||||||||||||
Funding support | Australia, 2items
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Citation | Journal: Plant Sci. / Year: 2020 Title: Structural elements that modulate the substrate specificity of plant purple acid phosphatases: Avenues for improved phosphorus acquisition in crops. Authors: Feder, D. / McGeary, R.P. / Mitic, N. / Lonhienne, T. / Furtado, A. / Schulz, B.L. / Henry, R.J. / Schmidt, S. / Guddat, L.W. / Schenk, G. | ||||||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6py9.cif.gz | 506.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6py9.ent.gz | 331.4 KB | Display | PDB format |
PDBx/mmJSON format | 6py9.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 6py9_validation.pdf.gz | 2.8 MB | Display | wwPDB validaton report |
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Full document | 6py9_full_validation.pdf.gz | 2.8 MB | Display | |
Data in XML | 6py9_validation.xml.gz | 82.4 KB | Display | |
Data in CIF | 6py9_validation.cif.gz | 117.3 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/py/6py9 ftp://data.pdbj.org/pub/pdb/validation_reports/py/6py9 | HTTPS FTP |
-Related structure data
Related structure data | 6vj7C 4dhlS 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
-Protein , 1 types, 4 molecules ABDC
#1: Protein | Mass: 52926.434 Da / Num. of mol.: 4 / Source method: isolated from a natural source / Source: (natural) Phaseolus vulgaris (French bean) / References: UniProt: P80366, acid phosphatase |
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-Sugars , 2 types, 15 molecules
#2: Polysaccharide | alpha-L-fucopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]2-acetamido-2-deoxy-beta- ...alpha-L-fucopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose Source method: isolated from a genetically manipulated source #5: Sugar | ChemComp-NAG / |
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-Non-polymers , 12 types, 1378 molecules
#3: Chemical | ChemComp-ZN / #4: Chemical | ChemComp-FE / #6: Chemical | #7: Chemical | ChemComp-SO4 / #8: Chemical | #9: Chemical | ChemComp-EDO / #10: Chemical | ChemComp-GOL / #11: Chemical | ChemComp-PGE / #12: Chemical | ChemComp-P4J / [( | #13: Chemical | ChemComp-CL / | #14: Chemical | #15: Water | ChemComp-HOH / | |
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-Details
Has ligand of interest | Y |
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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: 3.43 Å3/Da / Density % sol: 64.16 % / Description: Hexagonal |
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Crystal grow | Temperature: 291.15 K / Method: vapor diffusion, hanging drop / pH: 4 Details: 2.3 M ammonium sulfate, 0.1 M sodium acetate, pH 4.0 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX1 / Wavelength: 0.9 Å |
Detector | Type: ADSC QUANTUM 210r / Detector: CCD / Date: Mar 1, 2011 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9 Å / Relative weight: 1 |
Reflection | Resolution: 2.2→19.9 Å / Num. obs: 112252 / % possible obs: 82 % / Redundancy: 5.4 % / Biso Wilson estimate: 28.2 Å2 / CC1/2: 0.994 / Rpim(I) all: 0.068 / Net I/σ(I): 8.3 |
Reflection shell | Resolution: 2.2→2.225 Å / Redundancy: 3.7 % / Mean I/σ(I) obs: 1.8 / Num. unique obs: 3858 / CC1/2: 0.585 / Rpim(I) all: 0.45 / % possible all: 84.9 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 4DHL Resolution: 2.2→19.9 Å / SU ML: 0.277 / Cross valid method: FREE R-VALUE / σ(F): 0.3 / Phase error: 21.0004 / Stereochemistry target values: GeoStd + Monomer Library
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 29.91 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.2→19.9 Å
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Refine LS restraints |
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LS refinement shell |
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