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Open data
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Basic information
Entry | Database: PDB / ID: 4ltw | ||||||
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Title | Ancestral Ketosteroid Receptor-Progesterone-Mifepristone Complex | ||||||
![]() | Ancestral Steroid Receptor 2 | ||||||
![]() | HORMONE RECEPTOR / Nuclear Receptor / Steroid Receptor | ||||||
Function / homology | Retinoid X Receptor / Retinoid X Receptor / Orthogonal Bundle / Mainly Alpha / Chem-486 / PROGESTERONE![]() | ||||||
Biological species | Ancestral Gene | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Ortlund, E.A. / Colucci, J.K. | ||||||
![]() | ![]() Title: X-ray crystal structure of the ancestral 3-ketosteroid receptor-progesterone-mifepristone complex shows mifepristone bound at the coactivator binding interface. Authors: Colucci, J.K. / Ortlund, E.A. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 116.6 KB | Display | ![]() |
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PDB format | ![]() | 91 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.4 MB | Display | ![]() |
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Full document | ![]() | 1.4 MB | Display | |
Data in XML | ![]() | 14.8 KB | Display | |
Data in CIF | ![]() | 20.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4fn9S S: Starting model for refinement |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 29014.639 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Ancestral Gene / Plasmid: LIC-MBP / Production host: ![]() ![]() |
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-Non-polymers , 5 types, 159 molecules ![](data/chem/img/STR.gif)
![](data/chem/img/486.gif)
![](data/chem/img/SO4.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/486.gif)
![](data/chem/img/SO4.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-STR / | ||||||
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#3: Chemical | #4: Chemical | #5: Chemical | ChemComp-GOL / | #6: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.33 Å3/Da / Density % sol: 63.09 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, hanging drop / pH: 6 Details: 0.8 M MgSO4, 10 % glycerol, 0.1 M MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
-Data collection
Diffraction | Mean temperature: 100 K | |||||||||||||||||||||||||||||||||||||||||||||
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Diffraction source | Source: ![]() ![]() ![]() | |||||||||||||||||||||||||||||||||||||||||||||
Detector | Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Nov 9, 2009 | |||||||||||||||||||||||||||||||||||||||||||||
Radiation | Monochromator: Si(III) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||||||||||||||||||||||||||||||||||||||
Radiation wavelength | Relative weight: 1 | |||||||||||||||||||||||||||||||||||||||||||||
Reflection | Resolution: 2.05→43.8 Å / Num. all: 25187 / Num. obs: 25036 / % possible obs: 99.4 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 | |||||||||||||||||||||||||||||||||||||||||||||
Reflection shell |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 4FN9 Resolution: 2.045→43.77 Å / SU ML: 0.2 / σ(F): 1.33 / Phase error: 20.78 / 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: 2.045→43.77 Å
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Refine LS restraints |
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LS refinement shell |
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