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- PDB-3a0t: Catalytic domain of histidine kinase ThkA (TM1359) in complex wit... -
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Open data
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Basic information
Entry | Database: PDB / ID: 3a0t | ||||||
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Title | Catalytic domain of histidine kinase ThkA (TM1359) in complex with ADP and Mg ion (trigonal) | ||||||
![]() | Sensor protein | ||||||
![]() | TRANSFERASE / ATP-lid / Kinase / Phosphoprotein / Two-component regulatory system | ||||||
Function / homology | ![]() histidine kinase / phosphorelay sensor kinase activity / nucleotide binding / regulation of DNA-templated transcription / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Yamada, S. / Sugimoto, H. / Kobayashi, M. / Ohno, A. / Nakamura, H. / Shiro, Y. | ||||||
![]() | ![]() Title: Structure of PAS-linked histidine kinase and the response regulator complex Authors: Yamada, S. / Sugimoto, H. / Kobayashi, M. / Ohno, A. / Nakamura, H. / Shiro, Y. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 49.1 KB | Display | ![]() |
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PDB format | ![]() | 34.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 787 KB | Display | ![]() |
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Full document | ![]() | 789.3 KB | Display | |
Data in XML | ![]() | 9.4 KB | Display | |
Data in CIF | ![]() | 12.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 3a0rC ![]() 3a0sC ![]() 3a0uC ![]() 3a0vC ![]() 3a0wC ![]() 3a0xC ![]() 3a0yC ![]() 3a0zC ![]() 3a10C 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: 17726.236 Da / Num. of mol.: 1 / Fragment: catalytic domain Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
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#2: Chemical | ChemComp-MG / |
#3: Chemical | ChemComp-ADP / |
#4: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.95 Å3/Da / Density % sol: 68.89 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion Details: 5% isopropanol, 2.0M ammonium sulphate, VAPOR DIFFUSION, temperature 293K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 210 / Detector: CCD / Date: Sep 28, 2006 |
Radiation | Monochromator: Si 111 DOUBLE CRYSTAL MONOCHROMATOR / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.91→50 Å / Num. obs: 22342 / % possible obs: 100 % / Observed criterion σ(I): -3 / Redundancy: 12.1 % / Biso Wilson estimate: 24.8 Å2 / Rsym value: 0.049 / Net I/σ(I): 51.6 |
Reflection shell | Resolution: 1.91→1.98 Å / Redundancy: 11.8 % / Mean I/σ(I) obs: 6 / Rsym value: 0.432 / % possible all: 100 |
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Processing
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Refinement | Starting model: nucleotide free structure Resolution: 1.91→20 Å / Cor.coef. Fo:Fc: 0.951 / Cor.coef. Fo:Fc free: 0.93 / Occupancy max: 1 / Occupancy min: 0.2 / SU B: 1.901 / SU ML: 0.059 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.11 / ESU R Free: 0.108 / Stereochemistry target values: MAXIMUM LIKELIHOOD
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 82.64 Å2 / Biso mean: 26.301 Å2 / Biso min: 6.78 Å2
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Refinement step | Cycle: LAST / Resolution: 1.91→20 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.91→1.959 Å / Total num. of bins used: 20
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