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Open data
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Basic information
Entry | Database: PDB / ID: 7zut | ||||||
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Title | Penicillium expansum chimera loop1 | ||||||
![]() | Antifungal protein | ||||||
![]() | ANTIFUNGAL PROTEIN / Penicillium expansum / chimeric | ||||||
Function / homology | Antifungal protein / Antifungal protein domain superfamily / Antifungal protein / defense response to fungus / killing of cells of another organism / Antifungal protein![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Gallego, F. / Marina, A. / Manzanares, P. / Marcos, J.F. / Giner Llorca, M. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Rationally designed antifungal protein chimeras reveal new insights into structure-activity relationship. Authors: Giner-Llorca, M. / Del Sol, F.G. / Marcos, J.F. / Marina, A. / Manzanares, P. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 63.2 KB | Display | ![]() |
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PDB format | ![]() | 46.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 415.4 KB | Display | ![]() |
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Full document | ![]() | 415.4 KB | Display | |
Data in XML | ![]() | 5.4 KB | Display | |
Data in CIF | ![]() | 6.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 7ztfSC ![]() 7ztjC ![]() 7zvhC ![]() 7zw2C S: Starting model for refinement C: citing same article ( |
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Similar structure data | Similarity search - Function & homology ![]() |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components on special symmetry positions |
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Components
#1: Protein | Mass: 6685.502 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) ![]() | ||||||
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#2: Chemical | #3: Chemical | #4: Water | ChemComp-HOH / | Has ligand of interest | N | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.87 Å3/Da / Density % sol: 34.11 % |
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Crystal grow | Temperature: 294 K / Method: vapor diffusion, sitting drop / Details: 3.5M ammonium sulphate, 1% MPD, 0.1M Mes pH 6.5 |
-Data collection
Diffraction | Mean temperature: 80 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Oct 28, 2021 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97918 Å / Relative weight: 1 |
Reflection | Resolution: 1.1→42.83 Å / Num. obs: 20337 / % possible obs: 98 % / Redundancy: 17.4 % / Rmerge(I) obs: 0.049 / Rpim(I) all: 0.012 / Net I/σ(I): 40.8 |
Reflection shell | Resolution: 1.1→1.16 Å / Rmerge(I) obs: 0.11 / Num. unique obs: 2596 / Rpim(I) all: 0.035 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 7ZTF Resolution: 1.1→38.91 Å / Cor.coef. Fo:Fc: 0.975 / Cor.coef. Fo:Fc free: 0.969 / SU B: 0.577 / SU ML: 0.013 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.029 / ESU R Free: 0.029 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 46.25 Å2 / Biso mean: 12.202 Å2 / Biso min: 6.53 Å2
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Refinement step | Cycle: final / Resolution: 1.1→38.91 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.1→1.129 Å / Rfactor Rfree error: 0 / Total num. of bins used: 20
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