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- PDB-2ltq: High resolution structure of DsbB C41S by joint calculation with ... -
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Basic information
Entry | Database: PDB / ID: 2ltq | |||||||||
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Title | High resolution structure of DsbB C41S by joint calculation with solid-state NMR and X-ray data | |||||||||
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![]() | MEMBRANE PROTEIN / OXIDOREDUCTASE / DISULFIDE BOND / REDOX-ACTIVE CENTER / CELL INNER MEMBRANE / CELL MEMBRANE / CHAPERONE / ELECTRON TRANSPORT / MEMBRANE / TRANSMEMBRANE / TRANSPORT | |||||||||
Function / homology | ![]() oxidoreductase activity, acting on a sulfur group of donors, quinone or similar compound as acceptor / protein-disulfide reductase activity / ubiquinone binding / protein folding / response to heat / electron transfer activity / plasma membrane Similarity search - Function | |||||||||
Biological species | ![]() ![]() ![]() ![]() | |||||||||
Method | SOLID-STATE NMR / simulated annealing | |||||||||
Model details | lowest energy, model 1 | |||||||||
![]() | Tang, M. / Sperling, L.J. / Schwieters, C.D. / Nesbitt, A.E. / Gennis, R.B. / Rienstra, C.M. | |||||||||
![]() | ![]() Title: Structure of the Disulfide Bond Generating Membrane Protein DsbB in the Lipid Bilayer. Authors: Tang, M. / Nesbitt, A.E. / Sperling, L.J. / Berthold, D.A. / Schwieters, C.D. / Gennis, R.B. / Rienstra, C.M. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 3.4 MB | Display | ![]() |
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PDB format | ![]() | 2.9 MB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
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-Validation report
Summary document | ![]() | 728.7 KB | Display | ![]() |
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Full document | ![]() | 1.6 MB | Display | |
Data in XML | ![]() | 359.7 KB | Display | |
Data in CIF | ![]() | 462.1 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | |
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Similar structure data | |
Other databases |
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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2 | ![]()
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NMR ensembles |
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Components
#1: Protein | Mass: 20106.982 Da / Num. of mol.: 2 / Mutation: C8A,C41S,C49V Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Strain: K12 / Gene: dsbB, roxB, ycgA, b1185, JW5182 / Production host: ![]() ![]() #2: Antibody | Mass: 26364.410 Da / Num. of mol.: 2 / Source method: isolated from a natural source Details: FAB FRAGMENT IS OBTAINED BY PAPAIN DIGESTION OF A SELECTED MONOCLONAL ANTIBODY Source: (natural) ![]() ![]() #3: Antibody | Mass: 23666.453 Da / Num. of mol.: 2 / Source method: isolated from a natural source Details: FAB FRAGMENT IS OBTAINED BY PAPAIN DIGESTION OF A SELECTED MONOCLONAL ANTIBODY Source: (natural) ![]() ![]() #4: Chemical | |
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-Experimental details
-Experiment
Experiment | Method: SOLID-STATE NMR | ||||||||||||||||||||||||
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NMR experiment |
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NMR details | Text: Chemical shifts assignments and CC correlations provide dihedral angle and distance restraints. |
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Sample preparation
Details |
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Sample |
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Sample conditions | pH: 7.8 / Pressure: ambient / Temperature: 261 K |
-NMR measurement
Radiation wavelength | Relative weight: 1 | |||||||||||||||
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NMR spectrometer |
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Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 1 Details: JOINT CALCULATION OF DSBB C41S FAB WITH SOLID-STATE NMR RESTRAINTS AND X-RAY REFLECTIONS (X-RAY DATA ARE FROM PDB ID: 2ZUQ) | |||||||||||||||||||||
NMR constraints | NOE constraints total: 1334 | |||||||||||||||||||||
NMR representative | Selection criteria: lowest energy | |||||||||||||||||||||
NMR ensemble | Average torsion angle constraint violation: 0 ° Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 200 / Conformers submitted total number: 10 / Maximum lower distance constraint violation: 0.51 Å / Maximum torsion angle constraint violation: 0 ° / Maximum upper distance constraint violation: 0.52 Å | |||||||||||||||||||||
NMR ensemble rms | Distance rms dev: 0.09 Å / Distance rms dev error: 0.001 Å |