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- PDB-5n7p: cAMP-dependent Protein Kinase A from Cricetulus griseus in comple... -
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Open data
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Basic information
Entry | Database: PDB / ID: 5n7p | ||||||
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Title | cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 3-amino-5-(pyrrolidin-1-yl)-1H-pyrazole-4-carbonitrile | ||||||
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Function / homology | ![]() regulation of protein processing / protein localization to lipid droplet / regulation of bicellular tight junction assembly / cellular response to parathyroid hormone stimulus / ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Siefker, C. / Heine, A. / Klebe, G. | ||||||
![]() | ![]() Title: A crystallographic fragment study with cAMP-dependent protein kinase A Authors: Siefker, C. / Heine, A. / Klebe, G. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 228.8 KB | Display | ![]() |
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PDB format | ![]() | 186.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 5mhiC ![]() 5n1dC ![]() 5n1eC ![]() 5n1fC ![]() 5n1gC ![]() 5n1hC ![]() 5n1kC ![]() 5n1lC ![]() 5n1mC ![]() 5n1nC ![]() 5n1oC ![]() 5n32C ![]() 5n36C ![]() 5n37C ![]() 5n39C ![]() 5n3aC ![]() 5n3bC ![]() 5n3fC ![]() 5n3gC ![]() 5n3iC ![]() 5n3kC ![]() 5n3lC ![]() 5n3mC ![]() 5n3nC ![]() 5n3oC ![]() 5n3pC ![]() 5n3rC ![]() 5n3tC ![]() 4wihS 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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Unit cell |
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Components
#1: Protein | ![]() Mass: 41113.766 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Details: Phosphorylation of S11, T198, S339 / Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() ![]() |
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#2: Protein/peptide | Mass: 1993.318 Da / Num. of mol.: 1 / Source method: obtained synthetically / Details: cAMP dependent protein kinase inhibitor peptide / Source: (synth.) ![]() ![]() ![]() |
#3: Chemical | ChemComp-E9Q / |
#4: Chemical | ChemComp-MPD / (![]() |
#5: Water | ChemComp-HOH / ![]() |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.85 Å3/Da / Density % sol: 57 % |
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Crystal grow![]() | Temperature: 277 K / Method: vapor diffusion, sitting drop / pH: 6.9 / Details: MES-BIS-TRIS Mega8-Solution DTT EDTA LiCl Methanol |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 2M / Detector: PIXEL / Date: Feb 10, 2016 / Details: Silicon |
Radiation | Monochromator: Si-111 crystal monochromator / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.5→50 Å / Num. obs: 73338 / % possible obs: 98 % / Redundancy: 3.6 % / CC1/2: 1 / Rrim(I) all: 0.033 / Net I/σ(I): 20.78 |
Reflection shell | Resolution: 1.5→1.59 Å / Redundancy: 3.63 % / Mean I/σ(I) obs: 2.12 / Num. unique obs: 11631 / CC1/2: 0.83 / Rrim(I) all: 0.592 / % possible all: 97.4 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 4WIH Resolution: 1.501→45.587 Å / SU ML: 0.15 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 17.46
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.501→45.587 Å
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Refine LS restraints |
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LS refinement shell |
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