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- PDB-5chc: Crystal structure of the perchlorate reductase PcrAB - substrate ... -
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Open data
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Basic information
Entry | Database: PDB / ID: 5chc | ||||||
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Title | Crystal structure of the perchlorate reductase PcrAB - substrate analog SeO3 bound - from Azospira suillum PS | ||||||
![]() | (DMSO reductase family type II enzyme, ...) x 2 | ||||||
![]() | OXIDOREDUCTASE / electron-shuttling protein | ||||||
Function / homology | ![]() oxidoreductase complex / molybdopterin cofactor binding / anaerobic respiration / 3 iron, 4 sulfur cluster binding / 4 iron, 4 sulfur cluster binding / periplasmic space / oxidoreductase activity / electron transfer activity / membrane / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Tsai, C.-L. / Tainer, J.A. | ||||||
![]() | ![]() Title: Perchlorate Reductase Is Distinguished by Active Site Aromatic Gate Residues. Authors: Youngblut, M.D. / Tsai, C.L. / Clark, I.C. / Carlson, H.K. / Maglaqui, A.P. / Gau-Pan, P.S. / Redford, S.A. / Wong, A. / Tainer, J.A. / Coates, J.D. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 779.9 KB | Display | ![]() |
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PDB format | ![]() | 629.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 2.1 MB | Display | ![]() |
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Full document | ![]() | 2.2 MB | Display | |
Data in XML | ![]() | 141.5 KB | Display | |
Data in CIF | ![]() | 198.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4yddSC ![]() 5ch7C ![]() 5e7oC S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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2 | ![]()
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3 | ![]()
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Unit cell |
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Details | Dimer confirmed by gel filtration and SAXS |
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Components
-DMSO reductase family type II enzyme, ... , 2 types, 6 molecules ACEBDF
#1: Protein | Mass: 102069.859 Da / Num. of mol.: 3 / Source method: isolated from a natural source Source: (natural) ![]() Strain: ATCC BAA-33 / DSM 13638 / PS / References: UniProt: G8QM55 #2: Protein | Mass: 37067.809 Da / Num. of mol.: 3 / Source method: isolated from a natural source Source: (natural) ![]() Strain: ATCC BAA-33 / DSM 13638 / PS / References: UniProt: G8QM54 |
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-Non-polymers , 12 types, 1327 molecules ![](data/chem/img/SF4.gif)
![](data/chem/img/MO.gif)
![](data/chem/img/MGD.gif)
![](data/chem/img/MD1.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/BSY.gif)
![](data/chem/img/SO3.gif)
![](data/chem/img/NA.gif)
![](data/chem/img/ZN.gif)
![](data/chem/img/F3S.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/MO.gif)
![](data/chem/img/MGD.gif)
![](data/chem/img/MD1.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/BSY.gif)
![](data/chem/img/SO3.gif)
![](data/chem/img/NA.gif)
![](data/chem/img/ZN.gif)
![](data/chem/img/F3S.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/HOH.gif)
#3: Chemical | ChemComp-SF4 / #4: Chemical | #5: Chemical | #6: Chemical | #7: Chemical | ChemComp-EDO / #8: Chemical | #9: Chemical | #10: Chemical | ChemComp-NA / #11: Chemical | #12: Chemical | #13: Chemical | ChemComp-GOL / | #14: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.73 Å3/Da / Density % sol: 55.02 % / Description: Rod |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 8 / Details: 20% PEG6K, 0.1 M Tris pH 8.5 / PH range: 8-8.5 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Apr 19, 2015 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9793 Å / Relative weight: 1 |
Reflection | Resolution: 2.38→48.52 Å / Num. obs: 183135 / % possible obs: 100 % / Redundancy: 14.9 % / Rmerge(I) obs: 0.22 / Net I/σ(I): 13 |
Reflection shell | Resolution: 2.38→2.42 Å / Redundancy: 15 % / Mean I/σ(I) obs: 2 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 4YDD Resolution: 2.38→48.52 Å / SU ML: 0.31 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 24.02 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.38→48.52 Å
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Refine LS restraints |
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LS refinement shell |
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