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Yorodumi- PDB-8pte: Polyoxidovanadate interaction with proteins: crystal structure of... -
+Open data
-Basic information
Entry | Database: PDB / ID: 8pte | ||||||
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Title | Polyoxidovanadate interaction with proteins: crystal structure of lysozyme bound to octadecavanadate ion (structure B) | ||||||
Components | Lysozyme C | ||||||
Keywords | HYDROLASE / protein interaction / vanadium / vanadium acetylacetonate / POV / polyoxo | ||||||
Function / homology | Function and homology information Lactose synthesis / Antimicrobial peptides / Neutrophil degranulation / beta-N-acetylglucosaminidase activity / cell wall macromolecule catabolic process / lysozyme / lysozyme activity / defense response to Gram-negative bacterium / killing of cells of another organism / defense response to Gram-positive bacterium ...Lactose synthesis / Antimicrobial peptides / Neutrophil degranulation / beta-N-acetylglucosaminidase activity / cell wall macromolecule catabolic process / lysozyme / lysozyme activity / defense response to Gram-negative bacterium / killing of cells of another organism / defense response to Gram-positive bacterium / defense response to bacterium / endoplasmic reticulum / extracellular space / identical protein binding / cytoplasm Similarity search - Function | ||||||
Biological species | Gallus gallus (chicken) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.797 Å | ||||||
Authors | Tito, G. / Ferraro, G. / Merlino, A. | ||||||
Funding support | 1items
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Citation | Journal: Angew.Chem.Int.Ed.Engl. / Year: 2023 Title: Stabilization and Binding of [V 4 O 12 ] 4- and Unprecedented [V 20 O 54 (NO 3 )] n- to Lysozyme upon Loss of Ligands and Oxidation of the Potential Drug V IV O(acetylacetonato) 2. Authors: Ferraro, G. / Tito, G. / Sciortino, G. / Garribba, E. / Merlino, A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 8pte.cif.gz | 49.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb8pte.ent.gz | Display | PDB format | |
PDBx/mmJSON format | 8pte.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/pt/8pte ftp://data.pdbj.org/pub/pdb/validation_reports/pt/8pte | HTTPS FTP |
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-Related structure data
Related structure data | 7zu6C C: citing same article (ref.) |
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Similar structure data | Similarity search - Function & homologyF&H Search |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Components on special symmetry positions |
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-Components
-Protein , 1 types, 1 molecules AAA
#1: Protein | Mass: 14331.160 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Gallus gallus (chicken) / References: UniProt: P00698, lysozyme |
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-Non-polymers , 5 types, 161 molecules
#2: Chemical | ChemComp-NA / | ||
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#3: Chemical | ChemComp-JQJ / | ||
#4: Chemical | ChemComp-H1W / | ||
#5: Chemical | #6: Water | ChemComp-HOH / | |
-Details
Has ligand of interest | Y |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.06 Å3/Da / Density % sol: 40.23 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 4 Details: 20% ethylene glycol, 0.1 M sodium acetate buffer pH 4.0, 0.6 M sodium nitrate |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: ELETTRA / Beamline: 11.2C / Wavelength: 0.96 Å |
Detector | Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Jun 15, 2021 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.96 Å / Relative weight: 1 |
Reflection | Resolution: 1.79→40.19 Å / Num. obs: 11611 / % possible obs: 99.8 % / Redundancy: 20 % / CC1/2: 1 / Rmerge(I) obs: 0.104 / Net I/σ(I): 33.6 |
Reflection shell | Resolution: 1.79→1.83 Å / Redundancy: 15 % / Rmerge(I) obs: 1.06 / Mean I/σ(I) obs: 4.6 / Num. unique obs: 576 / CC1/2: 0.912 / % possible all: 100 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.797→40.128 Å / Cor.coef. Fo:Fc: 0.961 / Cor.coef. Fo:Fc free: 0.939 / SU B: 3.769 / SU ML: 0.112 / Cross valid method: THROUGHOUT / ESU R: 0.156 / ESU R Free: 0.147 Details: Hydrogens have been added in their riding positions
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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 BULK SOLVENT | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 26.962 Å2
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Refinement step | Cycle: LAST / Resolution: 1.797→40.128 Å
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Refine LS restraints |
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LS refinement shell |
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