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Yorodumi- PDB-5mz8: Crystal structure of aldehyde dehydrogenase 21 (ALDH21) from Phys... -
+Open data
-Basic information
Entry | Database: PDB / ID: 5mz8 | ||||||
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Title | Crystal structure of aldehyde dehydrogenase 21 (ALDH21) from Physcomitrella patens in complex with the reaction product succinate | ||||||
Components | aldehyde dehydrogenase 21 | ||||||
Keywords | OXIDOREDUCTASE / Rossmann fold / succinic semialdehyde dehydrogenase / NADP+ binding | ||||||
Function / homology | Function and homology information lactaldehyde dehydrogenase activity / glyceraldehyde-3-phosphate dehydrogenase (NADP+) Similarity search - Function | ||||||
Biological species | Physcomitrella patens subsp. patens (plant) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.2 Å | ||||||
Authors | Kopecny, D. / Vigouroux, A. / Briozzo, P. / Morera, S. | ||||||
Funding support | Czech Republic, 1items
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Citation | Journal: Plant J. / Year: 2017 Title: The ALDH21 gene found in lower plants and some vascular plants codes for a NADP(+) -dependent succinic semialdehyde dehydrogenase. Authors: Kopecna, M. / Vigouroux, A. / Vilim, J. / Koncitikova, R. / Briozzo, P. / Hajkova, E. / Jaskova, L. / von Schwartzenberg, K. / Sebela, M. / Morera, S. / Kopecny, D. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5mz8.cif.gz | 745.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5mz8.ent.gz | 619 KB | Display | PDB format |
PDBx/mmJSON format | 5mz8.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/mz/5mz8 ftp://data.pdbj.org/pub/pdb/validation_reports/mz/5mz8 | HTTPS FTP |
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-Related structure data
Related structure data | 5mz5C 5n5sC 2w8qS C: citing same article (ref.) S: Starting model for refinement |
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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 ABCD
#1: Protein | Mass: 56637.805 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Physcomitrella patens subsp. patens (plant) Gene: PHYPADRAFT_215149 / Production host: Physcomitrella patens (plant) / References: UniProt: A9SS48 |
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-Non-polymers , 5 types, 704 molecules
#2: Chemical | ChemComp-SIN / #3: Chemical | ChemComp-EDO / #4: Chemical | ChemComp-PEG / #5: Chemical | ChemComp-GOL / #6: 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: 2.44 Å3/Da / Density % sol: 49.61 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 8 Details: protein buffer: 20 mM Tris-HCl buffer, pH 8.0, 100 mM NaCl and 2% (w/v) glycerol; precipitant solution: 29 % (w/v) PEG 2000-MME, soak with 20 mM sodium succinate for 1 hour |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SOLEIL / Beamline: PROXIMA 2 / Wavelength: 0.98 Å |
Detector | Type: DECTRIS EIGER X 9M / Detector: PIXEL / Date: Dec 18, 2015 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.98 Å / Relative weight: 1 |
Reflection | Resolution: 2.2→55 Å / Num. obs: 112964 / % possible obs: 100 % / Redundancy: 9.64 % / Biso Wilson estimate: 36.68 Å2 / Rsym value: 0.28 / Net I/σ(I): 6.9 |
Reflection shell | Resolution: 2.2→2.33 Å / Redundancy: 9.82 % / Mean I/σ(I) obs: 1.32 / % possible all: 99.8 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 2W8Q Resolution: 2.2→50.07 Å / Cor.coef. Fo:Fc: 0.954 / Cor.coef. Fo:Fc free: 0.935 / Rfactor Rfree error: 0 / SU R Cruickshank DPI: 0.232 / Cross valid method: THROUGHOUT / σ(F): 0 / SU R Blow DPI: 0.233 / SU Rfree Blow DPI: 0.179 / SU Rfree Cruickshank DPI: 0.181
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Displacement parameters | Biso mean: 37.11 Å2
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Refine analyze | Luzzati coordinate error obs: 0.3 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.2→50.07 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.2→2.26 Å / Rfactor Rfree error: 0 / Total num. of bins used: 20
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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