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- PDB-4jas: Structural basis of a rationally rewired protein-protein interfac... -
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Open data
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Basic information
Entry | Database: PDB / ID: 4jas | ||||||
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Title | Structural basis of a rationally rewired protein-protein interface (HK853mutant A268V, A271G, T275M, V294T and D297E and RR468mutant V13P, L14I, I17M and N21V) | ||||||
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![]() | TRANSFERASE/SIGNALING PROTEIN / Bergerat fold / alpha/beta domain / signal transduction / autophosphorylation / phosphotransferase / dephosphorylation / histidine kinase / response regulator / phosphorylation / TRANSFERASE-SIGNALING PROTEIN complex | ||||||
Function / homology | ![]() histidine phosphotransfer kinase activity / histidine kinase / phosphorelay signal transduction system / phosphorelay sensor kinase activity / nucleotide binding / identical protein binding / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Podgornaia, A.I. / Casino, P. / Marina, A. / Laub, M.T. | ||||||
![]() | ![]() Title: Structural basis of a rationally rewired protein-protein interface critical to bacterial signaling Authors: Podgornaia, A.I. / Casino, P. / Marina, A. / Laub, M.T. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 88 KB | Display | ![]() |
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PDB format | ![]() | 64.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 795.8 KB | Display | ![]() |
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Full document | ![]() | 802.5 KB | Display | |
Data in XML | ![]() | 15.9 KB | Display | |
Data in CIF | ![]() | 20.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4ja2C ![]() 4jauC ![]() 4javC ![]() 3dgeS ![]() 3gl9S C: citing same article ( 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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Unit cell |
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Components
#1: Protein | Mass: 29438.402 Da / Num. of mol.: 1 / Fragment: HK853 cytoplasmic region, UNP residues 232-489 / Mutation: A268V, A271G, T275M, V294T, D297E Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() | ||
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#2: Protein | Mass: 13914.305 Da / Num. of mol.: 1 / Mutation: V13P, L14I, I17M, N21V Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() | ||
#3: Chemical | ChemComp-ADP / | ||
#4: Chemical | #5: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.46 Å3/Da / Density % sol: 64.41 % |
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Crystal grow | Temperature: 294 K / Method: vapor diffusion, sitting drop / pH: 5.5 Details: 2.2M ammonium sulfate, Bis-Tris, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Sep 8, 2011 / Details: bent cylindrical mirror |
Radiation | Monochromator: Single Silicon (111) monochromator / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97718 Å / Relative weight: 1 |
Reflection | Resolution: 3→48.3 Å / Num. obs: 12140 / % possible obs: 98.3 % / Observed criterion σ(F): 1.9 / Observed criterion σ(I): 2 / Rmerge(I) obs: 0.06 |
Reflection shell | Resolution: 3→3.16 Å / Redundancy: 3.6 % / Rmerge(I) obs: 0.389 / Mean I/σ(I) obs: 15 / Num. unique all: 12140 / Rsym value: 0.389 / % possible all: 98.3 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 3DGE, 3GL9 Resolution: 3→47.91 Å / Cor.coef. Fo:Fc: 0.938 / Cor.coef. Fo:Fc free: 0.915 / SU B: 16.572 / SU ML: 0.302 / Cross valid method: THROUGHOUT / σ(F): 1.9 / ESU R Free: 0.399 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 74.642 Å2
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Refinement step | Cycle: LAST / Resolution: 3→47.91 Å
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Refine LS restraints |
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LS refinement shell | Highest resolution: 3 Å / Total num. of bins used: 20
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