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- PDB-1he1: Crystal structure of the complex between the GAP domain of the Ps... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1he1 | ||||||
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Title | Crystal structure of the complex between the GAP domain of the Pseudomonas aeruginosa ExoS toxin and human Rac | ||||||
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Function / homology | ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() ![]() ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Wurtele, M. / Wolf, E. / Pederson, K.J. / Buchwald, G. / Ahmadian, M.R. / Barbieri, J.T. / Wittinghofer, A. | ||||||
![]() | ![]() Title: How the Pseudomonas Aeruginosa Exos Toxin Downregulates Rac Authors: Wurtele, M. / Wolf, E. / Pederson, K.J. / Buchwald, G. / Ahmadian, M.R. / Barbieri, J.T. / Wittinghofer, 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 | ![]() | 144.8 KB | Display | ![]() |
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PDB format | ![]() | 119.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 860.7 KB | Display | ![]() |
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Full document | ![]() | 867.5 KB | Display | |
Data in XML | ![]() | 33.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1ds6S 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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1 | ![]()
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2 | ![]()
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS oper: (Code: given Matrix: (-0.117, 0.8492, 0.5149), Vector ![]() |
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Components
-Protein , 2 types, 4 molecules ABCD
#1: Protein | Mass: 14261.152 Da / Num. of mol.: 2 / Fragment: 96-234, GTPASE-ACTIVATING PROTEIN (GAP-DOMAIN) Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() #2: Protein | Mass: 19563.525 Da / Num. of mol.: 2 / Fragment: 2-184 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() |
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-Non-polymers , 5 types, 722 molecules 








#3: Chemical | ChemComp-NI / ![]() #4: Chemical | ![]() #5: Chemical | ![]() #6: Chemical | #7: Water | ChemComp-HOH / | ![]() |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.65 Å3/Da / Density % sol: 40 % | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow![]() | pH: 8.5 Details: 8% PEG 6000, 3MM NICL2, 100 MM TRIS/HCL PH8.5, pH 8.50 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 20 ℃ / pH: 7.5 / Method: vapor diffusion, hanging drop / Details: used microseeding | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Jul 15, 2000 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2→30 Å / Num. obs: 527331 / % possible obs: 99.5 % / Observed criterion σ(I): 3 / Redundancy: 9.8 % / Biso Wilson estimate: 15.7 Å2 / Rsym value: 0.065 / Net I/σ(I): 21.3 |
Reflection shell | Resolution: 2→2.07 Å / Mean I/σ(I) obs: 4.9 / Rsym value: 0.285 / % possible all: 99.9 |
Reflection | *PLUS Num. obs: 53976 / Num. measured all: 527331 / Rmerge(I) obs: 0.065 |
Reflection shell | *PLUS % possible obs: 99.9 % / Redundancy: 3.5 % / Rmerge(I) obs: 0.285 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: PDB ENTRY 1DS6 CHAIN A Resolution: 2→29.92 Å / Rfactor Rfree error: 0.004 / Data cutoff high absF: 2288865.96 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 53.2816 Å2 / ksol: 0.372576 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 26.5 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2→29.92 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2→2.13 Å / Rfactor Rfree error: 0.012 / Total num. of bins used: 6
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Xplor file |
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Software | *PLUS Name: CNS / Version: 1 / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Lowest resolution: 30 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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