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- PDB-2fwf: high resolution crystal structure of the C-terminal domain of the... -
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Open data
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Basic information
Entry | Database: PDB / ID: 2fwf | ||||||
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Title | high resolution crystal structure of the C-terminal domain of the electron transfer catalyst DsbD (reduced form) | ||||||
![]() | Thiol:disulfide interchange protein dsbD | ||||||
![]() | OXIDOREDUCTASE / DSBD / THIOREDOXIN-LIKE / C-terminal domain / reduced form | ||||||
Function / homology | ![]() protein-disulfide reductase / protein-disulfide reductase (NAD(P)H) activity / cytochrome complex assembly / response to copper ion / protein-disulfide reductase activity / cell redox homeostasis / electron transfer activity / plasma membrane Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Stirnimann, C.U. / Rozhkova, A. / Grauschopf, U. / Boeckmann, R.A. / Glockshuber, R. / Capitani, G. / Gruetter, M.G. | ||||||
![]() | ![]() Title: High-resolution structures of Escherichia coli cDsbD in different redox states: A combined crystallographic, biochemical and computational study Authors: Stirnimann, C.U. / Rozhkova, A. / Grauschopf, U. / Boeckmann, R.A. / Glockshuber, R. / Capitani, G. / Gruetter, M.G. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 46.1 KB | Display | ![]() |
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PDB format | ![]() | 29.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 419.4 KB | Display | ![]() |
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Full document | ![]() | 420.8 KB | Display | |
Data in XML | ![]() | 9.7 KB | Display | |
Data in CIF | ![]() | 13.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2fweC ![]() 2fwgC ![]() 2fwhC ![]() 2trxS C: citing same article ( S: Starting model for refinement |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 15097.932 Da / Num. of mol.: 1 / Fragment: C-Terminal Domain, Residues 419-546 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() | ||||
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#2: Chemical | ChemComp-IOD / #3: Chemical | #4: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.61 Å3/Da / Density % sol: 28.35 % |
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Crystal grow | Temperature: 277.15 K / Method: vapor diffusion, sitting drop / pH: 4.6 Details: 0.1M ammonium acetate, 0.2M sodium acetate, 0.1M sodium iodide, 40% PEG 4000, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Aug 25, 2003 / Details: dynamically bendable mirror |
Radiation | Monochromator: SI(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.3→20 Å / Num. obs: 25864 / % possible obs: 98.2 % / Observed criterion σ(I): -3 / Redundancy: 5.4 % / Biso Wilson estimate: 12.4 Å2 / Rsym value: 0.091 / Net I/σ(I): 20.8 |
Reflection shell | Resolution: 1.3→1.35 Å / Mean I/σ(I) obs: 3.1 / Num. unique all: 2253 / Rsym value: 0.288 / % possible all: 87 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: modified version of 2TRX (see publication) Resolution: 1.3→15 Å / Num. parameters: 4882 / Num. restraintsaints: 4354 / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Refine analyze | Num. disordered residues: 23 / Occupancy sum hydrogen: 0.5 / Occupancy sum non hydrogen: 1122.07 | |||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.3→15 Å
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Refine LS restraints |
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LS refinement shell | Highest resolution: 1.3 Å
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