+
Open data
-
Basic information
Entry | Database: PDB / ID: 3qpl | ||||||
---|---|---|---|---|---|---|---|
Title | G106W mutant of EthR from Mycobacterium tuberculosis | ||||||
![]() | HTH-type transcriptional regulator EthR | ||||||
![]() | TRANSCRIPTION / HTH motif / transcriptional repressor | ||||||
Function / homology | ![]() transcription cis-regulatory region binding / DNA-binding transcription factor activity / response to antibiotic / negative regulation of DNA-templated transcription / regulation of DNA-templated transcription / cytosol Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Carette, X. / Willery, E. / Hoos, S. / Lecat-Guillet, N. / Frenois, F. / Dirie, B. / Villeret, V. / England, P. / Deprez, B. / Locht, C. ...Carette, X. / Willery, E. / Hoos, S. / Lecat-Guillet, N. / Frenois, F. / Dirie, B. / Villeret, V. / England, P. / Deprez, B. / Locht, C. / Willand, N. / Baulard, A. | ||||||
![]() | ![]() Title: Structural activation of the transcriptional repressor EthR from Mycobacterium tuberculosis by single amino acid change mimicking natural and synthetic ligands. Authors: Carette, X. / Blondiaux, N. / Willery, E. / Hoos, S. / Lecat-Guillet, N. / Lens, Z. / Wohlkonig, A. / Wintjens, R. / Soror, S.H. / Frenois, F. / Dirie, B. / Villeret, V. / England, P. / ...Authors: Carette, X. / Blondiaux, N. / Willery, E. / Hoos, S. / Lecat-Guillet, N. / Lens, Z. / Wohlkonig, A. / Wintjens, R. / Soror, S.H. / Frenois, F. / Dirie, B. / Villeret, V. / England, P. / Lippens, G. / Deprez, B. / Locht, C. / Willand, N. / Baulard, A.R. #1: ![]() Title: Synthetic EthR inhibitors boost antituberculous activity of ethionamide. Authors: Willand, N. / Dirie, B. / Carette, X. / Bifani, P. / Singhal, A. / Desroses, M. / Leroux, F. / Willery, E. / Mathys, V. / Deprez-Poulain, R. / Delcroix, G. / Frenois, F. / Aumercier, M. / ...Authors: Willand, N. / Dirie, B. / Carette, X. / Bifani, P. / Singhal, A. / Desroses, M. / Leroux, F. / Willery, E. / Mathys, V. / Deprez-Poulain, R. / Delcroix, G. / Frenois, F. / Aumercier, M. / Locht, C. / Villeret, V. / Deprez, B. / Baulard, A.R. #2: ![]() Title: Exploring Drug Target Flexibility Using in Situ Click Chemistry: Application to a Mycobacterial Transcriptional Regulator. Authors: Willand, N. / Desroses, M. / Toto, P. / Dirie, B. / Lens, Z. / Villeret, V. / Rucktooa, P. / Locht, C. / Baulard, A. / Deprez, B. | ||||||
History |
|
-
Structure visualization
Structure viewer | Molecule: ![]() ![]() |
---|
-
Downloads & links
-
Download
PDBx/mmCIF format | ![]() | 87.5 KB | Display | ![]() |
---|---|---|---|---|
PDB format | ![]() | 66.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
---|
-Related structure data
Related structure data | ![]() 3q0wC ![]() 3tp0C ![]() 3tp3C ![]() 1u9nS C: citing same article ( S: Starting model for refinement |
---|---|
Similar structure data |
-
Links
-
Assembly
Deposited unit | ![]()
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 | ![]()
| ||||||||
Unit cell |
|
-
Components
#1: Protein | Mass: 26082.232 Da / Num. of mol.: 1 / Mutation: G106W Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
---|
-Experimental details
-Experiment
Experiment | Method: ![]() |
---|
-
Sample preparation
Crystal | Density Matthews: 2.32 Å3/Da / Density % sol: 46.9 % |
---|---|
Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: glycerol, polyethylene glycol 8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 298 K | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Diffraction source | Source: ![]() | ||||||||||||||||||
Detector | Type: MAR scanner 345 mm plate / Detector: IMAGE PLATE | ||||||||||||||||||
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | ||||||||||||||||||
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 | ||||||||||||||||||
Reflection | Resolution: 3.18→19 Å / Num. all: 29488 / Num. obs: 29164 / % possible obs: 8.9 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 | ||||||||||||||||||
Reflection shell |
|
-
Processing
Software |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1U9N Resolution: 3.2→19 Å / Cor.coef. Fo:Fc: 0.784 / Cor.coef. Fo:Fc free: 0.612 / SU B: 73.889 / SU ML: 0.53 / Cross valid method: THROUGHOUT / ESU R Free: 0.629 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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 mean: 18.011 Å2
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 3.2→19 Å
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell | Highest resolution: 3.2 Å / Num. reflection Rwork: 272 / Total num. of bins used: 20 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement TLS params. | Method: refined / Origin x: 26.6867 Å / Origin y: 75.8561 Å / Origin z: 8.879 Å
|