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- PDB-7ngr: Mycobacterium tuberculosis transcriptional regulator EthR with bo... -
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Open data
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Basic information
Entry | Database: PDB / ID: 7ngr | ||||||
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Title | Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound | ||||||
![]() | HTH-type transcriptional regulator EthR | ||||||
![]() | TRANSCRIPTION / ETHR / Tuberculosis / Inhibition | ||||||
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 | ![]() ![]() ![]() | ||||||
![]() | Tomlinson, C.W.E. / Tatum, N.J. / Pohl, E. | ||||||
![]() | ![]() Title: Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization Authors: Tatum, N.J. / Tomlinson, C.W.E. / Frita, R. / Bennett, R. / Baulard, A.R. / Pohl, E. / Kitching, M.O. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 53.4 KB | Display | ![]() |
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PDB format | ![]() | 37.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 7ngdC ![]() 7nggC ![]() 7ngiC ![]() 7ngjC ![]() 7ngkC ![]() 7ngmC ![]() 7ngnC ![]() 7ngoC ![]() 7ngsC ![]() 7ngtC ![]() 7nguC ![]() 7ngwC ![]() 7ngxC ![]() 7ngyC ![]() 5nioS 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: 23781.705 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
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#2: Chemical | ChemComp-U9Z / |
#3: Water | ChemComp-HOH / |
Has ligand of interest | Y |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.62 Å3/Da / Density % sol: 53.1 % |
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Crystal grow | Temperature: 300 K / Method: vapor diffusion, sitting drop / Details: PEG based |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: May 3, 2018 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9795 Å / Relative weight: 1 |
Reflection | Resolution: 1.92→121.61 Å / Num. obs: 20021 / % possible obs: 100 % / Redundancy: 12.4 % / CC1/2: 0.998 / Net I/σ(I): 8.9 |
Reflection shell | Resolution: 1.92→1.95 Å / Mean I/σ(I) obs: 0.88 / Num. unique obs: 1794 / CC1/2: 0.461 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 5NIO Resolution: 1.92→86.14 Å / Cor.coef. Fo:Fc: 0.955 / Cor.coef. Fo:Fc free: 0.934 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.143 / ESU R Free: 0.141 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY
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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 max: 431.46 Å2 / Biso mean: 32.835 Å2 / Biso min: 18.08 Å2
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Refinement step | Cycle: final / Resolution: 1.92→86.14 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.92→1.97 Å / Total num. of bins used: 20
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