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Open data
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Basic information
Entry | Database: PDB / ID: 7f7n | |||||||||
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Title | Solution structure of apo-WhiB4 from Mycobacterium tuberculosis | |||||||||
![]() | Transcriptional regulator WhiB4 | |||||||||
![]() | DNA BINDING PROTEIN / apo-WhiB4 / helix-turn-helix domain / intrinsically disordered domain | |||||||||
Function / homology | ![]() dinitrosyl-iron complex binding / protein-disulfide reductase (NAD(P)H) activity / cell wall / protein-disulfide reductase activity / cell redox homeostasis / 4 iron, 4 sulfur cluster binding / negative regulation of DNA-templated transcription / DNA binding / metal ion binding / cytoplasm Similarity search - Function | |||||||||
Biological species | ![]() ![]() | |||||||||
Method | SOLUTION NMR / molecular dynamics | |||||||||
![]() | Xia, B. / Duan, B. | |||||||||
Funding support | ![]()
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History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 784.3 KB | Display | ![]() |
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PDB format | ![]() | 658.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 403.3 KB | Display | ![]() |
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Full document | ![]() | 515.1 KB | Display | |
Data in XML | ![]() | 36.4 KB | Display | |
Data in CIF | ![]() | 63.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar structure data | |
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Links
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Assembly
Deposited unit | ![]()
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NMR ensembles |
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Components
#1: Protein | Mass: 14305.289 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Gene: whiB4, Rv3681c / Production host: ![]() ![]() |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||||||||||||||||||||||
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NMR experiment |
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Sample preparation
Details | Type: solution Contents: 0.4 mM [U-100% 13C; U-100% 15N] WhiB4, 95% H2O/5% D2O Details: The NMR samples containing 0.4 mM reduced apo-WhiB4 in 50 mM Tris-HCl buffer (pH 7.0) with 95% H2O/5% D2O, along with 50 mM NaCl, 20 mM DTT, 0.03% NaN3, 0.01% DSS and 5% tablet of EDTA-free ...Details: The NMR samples containing 0.4 mM reduced apo-WhiB4 in 50 mM Tris-HCl buffer (pH 7.0) with 95% H2O/5% D2O, along with 50 mM NaCl, 20 mM DTT, 0.03% NaN3, 0.01% DSS and 5% tablet of EDTA-free protease inhibitor cocktail (Roche) Label: 15N_13C_sample / Solvent system: 95% H2O/5% D2O |
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Sample | Conc.: 0.4 mM / Component: WhiB4 / Isotopic labeling: [U-100% 13C; U-100% 15N] |
Sample conditions | Details: 50 mM Tris-HCl buffer, 50 mM NaCl, 20 mM DTT, 0.03% NaN3, 0.01% DSS, and 5% tablet of EDTA-free protease inhibitor cocktail (Roche) Ionic strength: 50 mM NaCl mM / Label: condition_1 / pH: 7 / Pressure: 1 atm / Temperature: 298 K |
-NMR measurement
NMR spectrometer |
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Processing
NMR software |
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Refinement | Method: molecular dynamics / Software ordinal: 2 | |||||||||||||||
NMR representative | Selection criteria: lowest energy | |||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 100 / Conformers submitted total number: 20 |