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Open data
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Basic information
Entry | Database: PDB / ID: 2iaw | ||||||
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Title | Crystal structure of squid ganglion DFPase N175D mutant | ||||||
![]() | Diisopropylfluorophosphatase | ||||||
![]() | HYDROLASE / phosphotriesterase / beta-propeller / calcium-binding site | ||||||
Function / homology | ![]() diisopropyl-fluorophosphatase / diisopropyl-fluorophosphatase activity / calcium ion binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Katsemi, V. / Luecke, C. / Koepke, J. / Loehr, F. / Maurer, S. / Fritzsch, G. / Rueterjans, H. | ||||||
![]() | ![]() Title: Mutational and structural studies of the diisopropylfluorophosphatase from Loligo vulgaris shed new light on the catalytic mechanism of the enzyme Authors: Katsemi, V. / Luecke, C. / Koepke, J. / Loehr, F. / Maurer, S. / Fritzsch, G. / Rueterjans, H. #1: ![]() Title: Crystallization and preliminary X-ray crystallographic analysis of DFPase from Loligo vulgaris Authors: Scharff, E.I. / Luecke, C. / Fritzsch, G. / Koepke, J. / Hartleib, J. / Dierl, S. / Rueterjans, H. #2: ![]() Title: Crystal structure of diisopropylfluorophosphatase from Loligo vulgaris Authors: Scharff, E.I. / Koepke, J. / Fritzsch, G. / Luecke, C. / Rueterjans, H. #3: ![]() Title: Statistical analysis of crystallographic data obtained from squid ganglion DFPase at 0.85 A resolution Authors: Koepke, J. / Scharff, E.I. / Luecke, C. / Rueterjans, H. / Fritzsch, 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 | ![]() | 84.2 KB | Display | ![]() |
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PDB format | ![]() | 61.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 364.4 KB | Display | ![]() |
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Full document | ![]() | 369 KB | Display | |
Data in XML | ![]() | 8 KB | Display | |
Data in CIF | ![]() | 13.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2iavC ![]() 2iaxC ![]() 1e1aS S: Starting model for refinement C: citing same article ( |
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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: 34861.391 Da / Num. of mol.: 1 / Mutation: N175D Source method: isolated from a genetically manipulated source Details: Phosphotriesterase / Source: (gene. exp.) ![]() ![]() ![]() | ||
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#2: Chemical | #3: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.17 Å3/Da / Density % sol: 43.26 % |
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Crystal grow | Temperature: 289 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 12% PEG 6000, 0.1 M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
-Data collection
Diffraction | Mean temperature: 120 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MAR scanner 345 mm plate / Detector: IMAGE PLATE / Date: Jul 5, 2003 |
Radiation | Monochromator: Triangular SI / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.8424 Å / Relative weight: 1 |
Reflection | Resolution: 1.74→90 Å / Num. obs: 2078 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB entry 1E1A Resolution: 1.74→90 Å / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 1.74→90 Å
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Refine LS restraints |
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