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Open data
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Basic information
Entry | Database: PDB / ID: 7cs4 | ||||||
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Title | IiPLR1 with NADP+ and (+)pinoresinol | ||||||
![]() | Pinoresinol-lariciresinol reductase | ||||||
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Function / homology | pinoresinol reductase activity / Phenylcoumaran benzylic ether reductase-like / NmrA-like domain / NmrA-like family / NAD(P)-binding domain superfamily / Chem-GEC / Chem-NDP / Pinoresinol-lariciresinol reductase![]() | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Shao, K. / Zhang, P. | ||||||
![]() | ![]() Title: Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases. Authors: Xiao, Y. / Shao, K. / Zhou, J. / Wang, L. / Ma, X. / Wu, D. / Yang, Y. / Chen, J. / Feng, J. / Qiu, S. / Lv, Z. / Zhang, L. / Zhang, P. / Chen, W. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 444.5 KB | Display | ![]() |
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PDB format | ![]() | 296 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 7cs2C ![]() 7cs3C ![]() 7cs5C ![]() 7cs6C ![]() 7cs7C ![]() 7cs8C ![]() 7cs9C ![]() 7csaC ![]() 7csbC ![]() 7cscC ![]() 7csdC ![]() 7cseC ![]() 7csfC ![]() 7csgC ![]() 7cshC ![]() 1qydS 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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3 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 35662.586 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() #2: Chemical | ChemComp-GEC / ![]() #3: Chemical | ChemComp-NDP / ![]() #4: Water | ChemComp-HOH / | ![]() Has ligand of interest | Y | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.07 Å3/Da / Density % sol: 59.88 % |
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Crystal grow![]() | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 4 Details: 0.2M sodium citrate tribasic, 0.1 M sodium citrate/citric acid, pH 4.0, 20% PEG 3350 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Dec 18, 2015 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2.3→48.67 Å / Num. obs: 111977 / % possible obs: 97.8 % / Redundancy: 8.7 % / Biso Wilson estimate: 41.7390437153 Å2 / Rmerge(I) obs: 0.161 / Net I/σ(I): 20.1 |
Reflection shell | Resolution: 2.3→2.39 Å / Rmerge(I) obs: 1.516 / Num. unique obs: 10853 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 1QYD Resolution: 2.3050924643→48.6614644533 Å / SU ML: 0.271972457875 / Cross valid method: FREE R-VALUE / σ(F): 1.33532755803 / Phase error: 26.4699648239 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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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: 41.4715898601 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.3050924643→48.6614644533 Å
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Refine LS restraints |
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LS refinement shell |
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