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- PDB-1lju: X-RAY STRUCTURE OF C15A ARSENATE REDUCTASE FROM PI258 COMPLEXED W... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1lju | ||||||
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Title | X-RAY STRUCTURE OF C15A ARSENATE REDUCTASE FROM PI258 COMPLEXED WITH ARSENITE | ||||||
![]() | arsenate reductase | ||||||
![]() | OXIDOREDUCTASE / PTPASE I FOLD / P-LOOP | ||||||
Function / homology | ![]() arsenate reductase (thioredoxin) / arsenate reductase (thioredoxin) activity / response to arsenic-containing substance / protein tyrosine phosphatase activity / metal ion binding / cytoplasm Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Zegers, I. / Martins, J.C. / Willem, R. / Wyns, L. / Messens, J. | ||||||
![]() | ![]() Title: All intermediates of the arsenate reductase mechanism, including an intramolecular dynamic disulfide cascade. Authors: Messens, J. / Martins, J.C. / Van Belle, K. / Brosens, E. / Desmyter, A. / De Gieter, M. / Wieruszeski, J.M. / Willem, R. / Wyns, L. / Zegers, I. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 45.6 KB | Display | ![]() |
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PDB format | ![]() | 30.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 429.2 KB | Display | ![]() |
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Full document | ![]() | 431.3 KB | Display | |
Data in XML | ![]() | 10.2 KB | Display | |
Data in CIF | ![]() | 14.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1ljlC ![]() 1lk0C ![]() 1jfvS 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: 14923.601 Da / Num. of mol.: 1 / Mutation: C15A Source method: isolated from a genetically manipulated source Details: oxidised / Source: (gene. exp.) ![]() ![]() ![]() ![]() |
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#2: Chemical | ChemComp-K / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.29 Å3/Da / Density % sol: 46.27 % | ||||||||||||||||||||||||||||
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 8.25 Details: PEG4000, TRIS, KCl, pH 8.25, VAPOR DIFFUSION, HANGING DROP, temperature 293K | ||||||||||||||||||||||||||||
Crystal grow | *PLUS pH: 8 / Method: unknown | ||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K | |||||||||
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Diffraction source | Source: ![]() ![]() ![]() | |||||||||
Detector | Type: MARRESEARCH / Detector: CCD / Date: Apr 5, 2001 | |||||||||
Radiation | Monochromator: double crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||
Radiation wavelength |
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Reflection | Resolution: 1.4→25 Å / Num. all: 27869 / Num. obs: 26420 / % possible obs: 94.8 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 4 % / Biso Wilson estimate: 0.1 Å2 / Rsym value: 0.052 / Net I/σ(I): 34 | |||||||||
Reflection shell | Resolution: 1.4→1.45 Å / Redundancy: 4 % / Mean I/σ(I) obs: 6.7 / Num. unique all: 2732 / Rsym value: 0.239 / % possible all: 99.6 | |||||||||
Reflection | *PLUS Lowest resolution: 30 Å / Num. obs: 27888 / Num. measured all: 188689 / Rmerge(I) obs: 0.052 | |||||||||
Reflection shell | *PLUS % possible obs: 99.6 % / Rmerge(I) obs: 0.239 / Mean I/σ(I) obs: 6.77 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: STRUCTURE OF OXIDISED PI258 ARSC (PDB ENTRY 1JFV) Resolution: 1.4→20.94 Å / Isotropic thermal model: ISOTROPIC / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: ENGH & HUBER
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Refinement step | Cycle: LAST / Resolution: 1.4→20.94 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.4→1.46 Å / Rfactor Rfree error: 0.02
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Refinement | *PLUS Lowest resolution: 30 Å / Rfactor Rfree: 0.258 / Rfactor Rwork: 0.23 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS Type: c_angle_deg / Dev ideal: 1.73 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell | *PLUS Rfactor Rfree: 0.32 |