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Open data
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Basic information
Entry | Database: PDB / ID: 1zcp | ||||||
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Title | Crystal Structure of a catalytic site mutant E. coli TrxA (CACA) | ||||||
![]() | Thioredoxin 1 | ||||||
![]() | ELECTRON TRANSPORT | ||||||
Function / homology | ![]() DNA polymerase processivity factor activity / protein-disulfide reductase activity / cell redox homeostasis / cytosol / cytoplasm Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Collet, J.-F. / Peisach, D. / Bardwell, J.C. / Xu, Z. | ||||||
![]() | ![]() Title: The crystal structure of TrxA(CACA): Insights into the formation of a [2Fe-2S] iron-sulfur cluster in an Escherichia coli thioredoxin mutant Authors: Collet, J.-F. / Peisach, D. / Bardwell, J.C. / Xu, Z. #1: Journal: Science / Year: 2004 Title: An engineered pathway for the formation of protein disulfide bonds Authors: Masip, L. / Pan, J.L. / Haldar, S. / Penner-Hahn, J.E. / DeLisa, M.P. / Georgiou, G. / Bardwell, J.C.A. / Collet, J.-F. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 88.4 KB | Display | ![]() |
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PDB format | ![]() | 67.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 1xobS 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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2 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 11675.376 Da / Num. of mol.: 4 / Mutation: G33A, P34C, C35A Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() #2: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.16 Å3/Da / Density % sol: 43.13 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, sitting drop / pH: 8.5 Details: 30% PEG4000, 0.1 M Tris, 0.2 M Magnesium chloride, 4% acetonitrile, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Mar 18, 2003 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.0023 Å / Relative weight: 1 |
Reflection | Resolution: 2.3→43.41 Å / Num. all: 18001 / Num. obs: 15211 / % possible obs: 84.5 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Biso Wilson estimate: 22.5 Å2 |
Reflection shell | Resolution: 2.3→2.44 Å / % possible all: 82.3 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1XOB Resolution: 2.3→43.41 Å / Rfactor Rfree error: 0.007 / Data cutoff high absF: 369499.21 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber / Details: BULK SOLVENT MODEL USED
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 22.8401 Å2 / ksol: 0.322577 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 26.1 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.3→43.41 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.3→2.44 Å / Rfactor Rfree error: 0.025 / Total num. of bins used: 6
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Xplor file |
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