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- PDB-6hob: TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6hob | ||||||
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Title | TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44831 | ||||||
![]() | HTH-type transcriptional regulator EthR | ||||||
![]() | DNA BINDING PROTEIN / HELIX-TURN-HELIX / TETR-FAMILY / COMPLEX / INHIBITOR / DRUG DESIGN / TUBERCULOSIS / ETHIONAMIDE | ||||||
Function / homology | ![]() transcription cis-regulatory region binding / DNA-binding transcription factor activity Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Wintjens, R. / Wohlkonig, A. | ||||||
![]() | ![]() Title: A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR. Authors: Tanina, A. / Wohlkonig, A. / Soror, S.H. / Flipo, M. / Villemagne, B. / Prevet, H. / Deprez, B. / Moune, M. / Peree, H. / Meyer, F. / Baulard, A.R. / Willand, N. / Wintjens, R. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 53.7 KB | Display | ![]() |
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PDB format | ![]() | 37.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 474.7 KB | Display | ![]() |
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Full document | ![]() | 474.9 KB | Display | |
Data in XML | ![]() | 9.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6hnxC ![]() 6hnzC ![]() 6ho0C ![]() 6ho1C ![]() 6ho2C ![]() 6ho3C ![]() 6ho4C ![]() 6ho5C ![]() 6ho6C ![]() 6ho7C ![]() 6ho8C ![]() 6ho9C ![]() 6hoaC ![]() 6hocC ![]() 6hodC ![]() 6hoeC ![]() 6hofC ![]() 1u9nS 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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1 | ![]()
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Unit cell |
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Components on special symmetry positions |
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Components
#1: Protein | Mass: 24927.980 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Gene: ethR, etaR, MT3970 / Variant: CDC 1551 / Oshkosh / Production host: ![]() ![]() |
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#2: Chemical | ChemComp-GJ5 / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.41 Å3/Da / Density % sol: 49.06 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion / pH: 6.7 / Details: 1.4-1.6 ammonium sulfate, 15% glycerol, 100 mM MES |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Dec 6, 2010 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.8→38.57 Å / Num. obs: 23495 / % possible obs: 97.4 % / Redundancy: 12.2 % / Rmerge(I) obs: 0.062 / Net I/σ(I): 27.8 |
Reflection shell | Resolution: 1.8→1.9 Å / Redundancy: 8.9 % / Rmerge(I) obs: 0.462 / Mean I/σ(I) obs: 4.9 / Num. unique obs: 2791 / % possible all: 83.5 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1U9N Resolution: 1.8→38.57 Å / Cor.coef. Fo:Fc: 0.955 / Cor.coef. Fo:Fc free: 0.94 / SU B: 2.188 / SU ML: 0.068 / Cross valid method: THROUGHOUT / ESU R: 0.106 / ESU R Free: 0.104 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 24.15 Å2
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Refinement step | Cycle: 1 / Resolution: 1.8→38.57 Å
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Refine LS restraints |
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