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- PDB-6t1e: Streptavidin variants harbouring an artificial organocatalyst bas... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6t1e | ||||||
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Title | Streptavidin variants harbouring an artificial organocatalyst based cofactor | ||||||
![]() | Streptavidin![]() | ||||||
![]() | Biotin-binding protein / artificial cofactor / ![]() ![]() | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Lechner, H. / Hocker, B. | ||||||
Funding support | ![]()
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![]() | ![]() Title: An Artificial Cofactor Catalyzing the Baylis-Hillman Reaction with Designed Streptavidin as Protein Host*. Authors: Lechner, H. / Emann, V.R. / Breuning, M. / Hocker, B. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 113.2 KB | Display | ![]() |
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PDB format | ![]() | 74 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 6t1gC ![]() 6t1kC ![]() 6t2lC ![]() 6t2yC ![]() 6t2zC ![]() 6t30C ![]() 6t31C ![]() 6t32C 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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1 | ![]()
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Unit cell |
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Components on special symmetry positions |
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Components
-Protein , 1 types, 1 molecules A
#1: Protein | ![]() Mass: 16598.053 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() |
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-Non-polymers , 5 types, 120 molecules ![](data/chem/img/GOL.gif)
![](data/chem/img/ACT.gif)
![](data/chem/img/HL9.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/ACT.gif)
![](data/chem/img/HL9.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ![]() #3: Chemical | ChemComp-ACT / | ![]() #4: Chemical | ChemComp-HL9 / | #5: Chemical | ChemComp-CL / | ![]() #6: Water | ChemComp-HOH / | ![]() |
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-Details
Has ligand of interest | Y |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.68 Å3/Da / Density % sol: 54.1 % |
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Crystal grow![]() | Temperature: 294 K / Method: vapor diffusion, hanging drop / Details: (NH4)2SO4 1.8 M, NaCH3COO 0.1 M, pH 4.6 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS3 2M / Detector: PIXEL / Date: Sep 28, 2017 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.3→29.76 Å / Num. obs: 36595 / % possible obs: 99.92 % / Redundancy: 14.4 % / Biso Wilson estimate: 17 Å2 / CC1/2: 1 / Rmerge(I) obs: 0.08801 / Rpim(I) all: 0.02393 / Rrim(I) all: 0.09129 / Net I/σ(I): 18.71 |
Reflection shell | Resolution: 1.3→1.346 Å / Num. unique obs: 3573 / CC1/2: 0.398 |
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Processing
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Refinement | Method to determine structure![]() ![]() 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: 24.68 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.3→29.76 Å
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Refine LS restraints |
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LS refinement shell |
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