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Yorodumi- PDB-8bqp: Hen Egg-White Lysozyme (HEWL) complexed with methyl-functionalise... -
+Open data
-Basic information
Entry | Database: PDB / ID: 8bqp | ||||||||||||||||||
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Title | Hen Egg-White Lysozyme (HEWL) complexed with methyl-functionalised Anderson-Evans polyoxometalate | ||||||||||||||||||
Components | Lysozyme C | ||||||||||||||||||
Keywords | HYDROLASE / interactions / polyoxometalate / Anderson-Evans | ||||||||||||||||||
Function / homology | Function and homology information Lactose synthesis / Antimicrobial peptides / Neutrophil degranulation / beta-N-acetylglucosaminidase activity / cell wall macromolecule catabolic process / lysozyme / lysozyme activity / killing of cells of another organism / defense response to Gram-negative bacterium / defense response to Gram-positive bacterium ...Lactose synthesis / Antimicrobial peptides / Neutrophil degranulation / beta-N-acetylglucosaminidase activity / cell wall macromolecule catabolic process / lysozyme / lysozyme activity / killing of cells of another organism / defense response to Gram-negative bacterium / 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: 1.24 Å | ||||||||||||||||||
Authors | Lentink, S. / Salazar Marcano, D.E. / Moussawi, M.A. / Vandebroek, L. / Van Meervelt, L. / Parac-Vogt, T.N. | ||||||||||||||||||
Funding support | Belgium, 5items
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Citation | Journal: Faraday Disc.Chem.Soc / Year: 2023 Title: Fine-tuning non-covalent interactions between hybrid metal-oxo clusters and proteins. Authors: Lentink, S. / Salazar Marcano, D.E. / Moussawi, M.A. / Vandebroek, L. / Van Meervelt, L. / Parac-Vogt, T.N. | ||||||||||||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 8bqp.cif.gz | 91.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb8bqp.ent.gz | 68.8 KB | Display | PDB format |
PDBx/mmJSON format | 8bqp.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/bq/8bqp ftp://data.pdbj.org/pub/pdb/validation_reports/bq/8bqp | HTTPS FTP |
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-Related structure data
Related structure data | 8bqqC 8bqrC 8bqtC 1lyzS S: Starting model for refinement 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
#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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#2: Chemical | ChemComp-U7U / | ||||
#3: Chemical | ChemComp-ACT / | ||||
#4: Chemical | #5: Water | ChemComp-HOH / | Has ligand of interest | Y | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 1 Å3/Da / Density % sol: 34.8 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop Details: 130 mg/mL Lysozyme, 20 mM AE-CH3, 1.0 M lithium chloride, 0.1 M sodium acetate and 30% (w/v) PEG 6000 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID30B / Wavelength: 0.976253 Å |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: May 3, 2022 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.976253 Å / Relative weight: 1 |
Reflection | Resolution: 1.24→38.19 Å / Num. obs: 31633 / % possible obs: 100 % / Redundancy: 24.3 % / CC1/2: 1 / Rmerge(I) obs: 0.06 / Rpim(I) all: 0.012 / Rrim(I) all: 0.061 / Χ2: 1.02 / Net I/σ(I): 28.4 / Num. measured all: 768146 |
Reflection shell | Resolution: 1.24→1.26 Å / % possible obs: 100 % / Redundancy: 24 % / Rmerge(I) obs: 0.781 / Num. measured all: 36443 / Num. unique obs: 1519 / CC1/2: 0.931 / Rpim(I) all: 0.161 / Rrim(I) all: 0.798 / Χ2: 1.08 / Net I/σ(I) obs: 4.7 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 1LYZ Resolution: 1.24→38.19 Å / SU ML: 0.09 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 15.82 / 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 | ||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.24→38.19 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.24→1.26 Å
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