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Yorodumi- PDB-5hq1: Comment on S. W. M. Tanley and J. R. Helliwell Structural dynamic... -
+Open data
-Basic information
Entry | Database: PDB / ID: 5hq1 | |||||||||
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Title | Comment on S. W. M. Tanley and J. R. Helliwell Structural dynamics of cisplatin binding to histidine in a protein Struct. Dyn. 1, 034701 (2014) regarding the refinement of 4mwk, 4mwm, 4mwn and 4oxe and the method we have adopted. | |||||||||
Components | Lysozyme C | |||||||||
Keywords | HYDROLASE / structural dynamics / cisplatin / histidine | |||||||||
Function / homology | Function and homology information 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 ...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 / MOLECULAR REPLACEMENT / Resolution: 1 Å | |||||||||
Authors | Helliwell, J.R. | |||||||||
Citation | Journal: Struct Dyn / Year: 2016 Title: Comment on "Structural dynamics of cisplatin binding to histidine in a protein" [Struct. Dyn. 1, 034701 (2014)]. Authors: Tanley, S.W. / Helliwell, J.R. #1: Journal: Struct Dyn. / Year: 2014 Title: Structural dynamics of cisplatin binding to histidine in a protein. Authors: Tanley, S.W. / Helliwell, J.R. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5hq1.cif.gz | 69.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5hq1.ent.gz | 50.2 KB | Display | PDB format |
PDBx/mmJSON format | 5hq1.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/hq/5hq1 ftp://data.pdbj.org/pub/pdb/validation_reports/hq/5hq1 | HTTPS FTP |
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-Related structure data
Related structure data | 5hmvC 5i5qC 5iddC 4mwm S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data | |
Experimental dataset #1 | Data reference: 10.15127/1.266900 / Data set type: diffraction image data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 14218.001 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: lysozyme / Source: (natural) Gallus gallus (chicken) / Tissue: egg white / References: UniProt: P00698, lysozyme |
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-Non-polymers , 5 types, 103 molecules
#2: Chemical | ChemComp-DMS / | ||||||
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#3: Chemical | #4: Chemical | ChemComp-NO3 / #5: Chemical | ChemComp-PT / #6: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 1.74 Å3/Da / Density % sol: 29.37 % |
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Crystal grow | Temperature: 294 K / Method: batch mode / pH: 4.7 Details: CRYSTALLIZATION CONDITIONS: 40MG HEWL CO-CRYSTALLISED WITH 2.6MG CISPLATIN, WITH THE PLATINUM COMPOUNDS BEING IN A 3-FOLD MOLAR EXCESS TO THE PROTEIN. 462.5 UL OF A 0.02M NAAC SOLUTION ALONG ...Details: CRYSTALLIZATION CONDITIONS: 40MG HEWL CO-CRYSTALLISED WITH 2.6MG CISPLATIN, WITH THE PLATINUM COMPOUNDS BEING IN A 3-FOLD MOLAR EXCESS TO THE PROTEIN. 462.5 UL OF A 0.02M NAAC SOLUTION ALONG WITH 462.5 UL OF A 0.5M NANO3 SOLUTION WAS USED WITH 75 UL DMSO ADDED, BATCH, TEMPERATURE 294K, PH 4.7, EVAPORATION. |
-Data collection
Diffraction | Mean temperature: 200 K |
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Diffraction source | Source: ROTATING ANODE / Type: BRUKER AXS MICROSTAR / Wavelength: 1.5418 Å |
Detector | Type: APEX II CCD / Detector: CCD / Date: Nov 3, 2012 |
Radiation | Monochromator: CONFOCAL MIRROR OPTICS / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1→32.09 Å / Num. obs: 47695 / % possible obs: 90.8 % / Redundancy: 2.25 % / Biso Wilson estimate: 7.4 Å2 / Rmerge(I) obs: 0.0875 / Net I/σ(I): 5.93 |
Reflection shell | Resolution: 1→1.1 Å / Redundancy: 0.81 % / Rmerge(I) obs: 0.2408 / Mean I/σ(I) obs: 1.33 / % possible all: 79.7 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 4mwm 4mwm Resolution: 1→32.09 Å / Cor.coef. Fo:Fc: 0.967 / Cor.coef. Fo:Fc free: 0.958 / SU B: 1.143 / SU ML: 0.027 / Cross valid method: THROUGHOUT / ESU R: 0.032 / ESU R Free: 0.032 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE 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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 11.704 Å2
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Refinement step | Cycle: LAST / Resolution: 1→32.09 Å
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Refine LS restraints |
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