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Yorodumi- PDB-2ahr: Crystal Structures of 1-Pyrroline-5-Carboxylate Reductase from Hu... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2ahr | ||||||
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Title | Crystal Structures of 1-Pyrroline-5-Carboxylate Reductase from Human Pathogen Streptococcus pyogenes | ||||||
Components | putative pyrroline carboxylate reductase | ||||||
Keywords | OXIDOREDUCTASE / 1-Pyrroline-5-Carboxylate Reductase / Pyrroline-5-Carboxylate Reductase / Pyrroline Reductase / Proline biosynthesis / NAD(P)binding protein / Rossmann Fold / Doain swapping / human pathogen / Streptococcus pyogenes / Structural Genomics / MCSG / PSI / Protein Structure Initiative / Midwest Center for Structural Genomics | ||||||
Function / homology | Function and homology information pyrroline-5-carboxylate reductase / pyrroline-5-carboxylate reductase activity / L-proline biosynthetic process / nucleotide binding / cytoplasm Similarity search - Function | ||||||
Biological species | Streptococcus pyogenes (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 2.15 Å | ||||||
Authors | Nocek, B. / Lezondra, L. / Holzle, D. / Joachimiak, A. / Midwest Center for Structural Genomics (MCSG) | ||||||
Citation | Journal: J.Mol.Biol. / Year: 2005 Title: Crystal Structures of Delta(1)-Pyrroline-5-carboxylate Reductase from Human Pathogens Neisseria meningitides and Streptococcus pyogenes Authors: Nocek, B. / Chang, C. / Li, H. / Lezondra, L. / Holzle, D. / Collart, F. / Joachimiak, A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2ahr.cif.gz | 263.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2ahr.ent.gz | 225.1 KB | Display | PDB format |
PDBx/mmJSON format | 2ahr.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2ahr_validation.pdf.gz | 1.9 MB | Display | wwPDB validaton report |
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Full document | 2ahr_full_validation.pdf.gz | 1.9 MB | Display | |
Data in XML | 2ahr_validation.xml.gz | 55.6 KB | Display | |
Data in CIF | 2ahr_validation.cif.gz | 77.1 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ah/2ahr ftp://data.pdbj.org/pub/pdb/validation_reports/ah/2ahr | HTTPS FTP |
-Related structure data
Related structure data | 1yqgC 2ag8C 2amfC C: citing same article (ref.) |
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Similar structure data | |
Other databases |
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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3 |
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4 |
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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 27933.252 Da / Num. of mol.: 5 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptococcus pyogenes (bacteria) / Strain: M1 GAS / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) References: UniProt: Q9A1S9, pyrroline-5-carboxylate reductase #2: Chemical | ChemComp-NA / #3: Chemical | ChemComp-NAP / #4: Chemical | ChemComp-FMT / #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: 2.88 Å3/Da / Density % sol: 57 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 7 Details: 3.5 M sodium formate , pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 0.9795 Å |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Mar 4, 2005 / Details: mirrors |
Radiation | Monochromator: Si 111 channel / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9795 Å / Relative weight: 1 |
Reflection | Resolution: 2.15→50 Å / Num. all: 83861 / Num. obs: 83006 / % possible obs: 98.98 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / Rmerge(I) obs: 0.067 / Net I/σ(I): 23.1 |
Reflection shell | Resolution: 2.15→2.21 Å / Rmerge(I) obs: 0.323 / % possible all: 92 |
-Processing
Software |
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Refinement | Method to determine structure: SAD / Resolution: 2.15→50 Å / Cor.coef. Fo:Fc: 0.966 / Cor.coef. Fo:Fc free: 0.952 / SU B: 9.658 / SU ML: 0.128 / TLS residual ADP flag: LIKELY RESIDUAL / σ(F): 0 / σ(I): 0 / ESU R: 0.204 / ESU R Free: 0.168 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 46.675 Å2
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Refinement step | Cycle: LAST / Resolution: 2.15→50 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.15→2.208 Å / 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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