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Open data
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Basic information
Entry | Database: PDB / ID: 2wy6 | ||||||
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Title | Clostridium perfringens alpha-toxin strain NCTC8237 mutant T74I | ||||||
![]() | PHOSPHOLIPASE C | ||||||
![]() | HYDROLASE / CYTOLYSIS / HEMOLYSIS / MEMBRANE BINDING / VIRULENCE / GANGRENE DETERMINANT / C2 DOMAIN | ||||||
Function / homology | ![]() phospholipase C / phosphatidylcholine phospholipase C activity / hemolysis in another organism / toxin activity / hydrolase activity / zinc ion binding / extracellular region Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Vachieri, S.G. / Naylor, C.E. / Basak, A.K. | ||||||
![]() | ![]() Title: Comparison of a Nontoxic Variant of Clostridium Perfringens [Alpha]-Toxin with the Toxic Wild-Type Strain Authors: Vachieri, S.G. / Clark, G.C. / Alape-Giron, A. / Flores-Diaz, M. / Justin, N. / Naylor, C.E. / Titball, R.W. / Basak, A.K. #1: ![]() Title: Structure of the Key Toxin in Gas Gangrene. Authors: Naylor, C.E. / Eaton, J.T. / Howells, A. / Justin, N. / Moss, D.S. / Titball, R.W. / Basak, A.K. #2: Journal: Microbiol.Immunol. / Year: 1996 Title: Threonine-74 is a Key Site for the Activity of Clostridium Perfringens Alpha-Toxin. Authors: Nagahama, M. / Sakurai, J. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 225.7 KB | Display | ![]() |
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PDB format | ![]() | 178.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 465.6 KB | Display | ![]() |
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Full document | ![]() | 488.9 KB | Display | |
Data in XML | ![]() | 41.1 KB | Display | |
Data in CIF | ![]() | 54.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2wxtC ![]() 2wxuC ![]() 1ca1S 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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3 | ![]()
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments:
NCS oper:
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Components
#1: Protein | Mass: 42599.906 Da / Num. of mol.: 3 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() #2: Chemical | #3: Chemical | ChemComp-CD / #4: Chemical | ChemComp-CA / #5: Chemical | Compound details | ENGINEERED RESIDUE IN CHAIN A, THR 102 TO ILE ENGINEERED RESIDUE IN CHAIN B, THR 102 TO ILE ...ENGINEERED | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.6 Å3/Da / Density % sol: 52.6 % / Description: NONE |
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Crystal grow | pH: 7.6 Details: 1 M NA ACETATE, 0,1 M NA-HEPES, PH 7.6, 0.05 M CDSO4 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Dec 11, 2003 / Details: MIRRORS |
Radiation | Monochromator: SILICON (311) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.933 Å / Relative weight: 1 |
Reflection | Resolution: 3.2→29.74 Å / Num. obs: 22436 / % possible obs: 99.8 % / Observed criterion σ(I): 0 / Redundancy: 7.8 % / Biso Wilson estimate: 88.88 Å2 / Rmerge(I) obs: 0.09 / Net I/σ(I): 22.4 |
Reflection shell | Resolution: 3.2→3.4 Å / Redundancy: 8 % / Rmerge(I) obs: 0.54 / Mean I/σ(I) obs: 3.5 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1CA1 WITHOUT RESIDUES 75-84 Resolution: 3.2→24.914 Å / SU ML: 0.41 / σ(F): 1.39 / Phase error: 27.32 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 50.698 Å2 / ksol: 0.306 e/Å3 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 92.37 Å2
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Refinement step | Cycle: LAST / Resolution: 3.2→24.914 Å
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Refine LS restraints |
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Refine LS restraints NCS |
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LS refinement shell |
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