+Open data
-Basic information
Entry | Database: PDB / ID: 8bsg | ||||||
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Title | COMPLEX OF LEPORINE SERUM ALBUMIN WITH DICLOFENAC | ||||||
Components | Albumin | ||||||
Keywords | TRANSPORT PROTEIN / Leporine serum albumin / drug carrier / diclofenac. | ||||||
Function / homology | Function and homology information cellular response to calcium ion starvation / exogenous protein binding / enterobactin binding / negative regulation of mitochondrial depolarization / toxic substance binding / fatty acid binding / oxygen binding / pyridoxal phosphate binding / protein-folding chaperone binding / Golgi apparatus ...cellular response to calcium ion starvation / exogenous protein binding / enterobactin binding / negative regulation of mitochondrial depolarization / toxic substance binding / fatty acid binding / oxygen binding / pyridoxal phosphate binding / protein-folding chaperone binding / Golgi apparatus / endoplasmic reticulum / protein-containing complex / DNA binding / extracellular exosome / identical protein binding / metal ion binding Similarity search - Function | ||||||
Biological species | Oryctolagus cuniculus (rabbit) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.89 Å | ||||||
Authors | Bujacz, A. / Talaj, J. / Zielinski, K. | ||||||
Funding support | Poland, 1items
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Citation | Journal: Int J Mol Sci / Year: 2023 Title: Structural Investigation of Diclofenac Binding to Ovine, Caprine, and Leporine Serum Albumins. Authors: Talaj, J.A. / Zielinski, K. / Bujacz, A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 8bsg.cif.gz | 255.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb8bsg.ent.gz | 210 KB | Display | PDB format |
PDBx/mmJSON format | 8bsg.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 8bsg_validation.pdf.gz | 1.4 MB | Display | wwPDB validaton report |
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Full document | 8bsg_full_validation.pdf.gz | 1.4 MB | Display | |
Data in XML | 8bsg_validation.xml.gz | 28.5 KB | Display | |
Data in CIF | 8bsg_validation.cif.gz | 42 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/bs/8bsg ftp://data.pdbj.org/pub/pdb/validation_reports/bs/8bsg | HTTPS FTP |
-Related structure data
Related structure data | 6hn0C 6hn1C 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
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 66173.562 Da / Num. of mol.: 1 / Mutation: 0 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Oryctolagus cuniculus (rabbit) / Gene: ALB / Production host: Oryctolagus cuniculus (rabbit) / References: UniProt: G1U9S2 |
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-Non-polymers , 6 types, 398 molecules
#2: Chemical | #3: Chemical | ChemComp-ACT / #4: Chemical | #5: Chemical | #6: Chemical | ChemComp-NA / | #7: Water | ChemComp-HOH / | |
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-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: 2.36 Å3/Da / Density % sol: 47.96 % / Description: elongated prism-shaped crystal |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 8 Details: 16% PEG3350, 8% PPG400, 0.2 M ammonium acetate and 0.1 M TRIS |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: BESSY / Beamline: 14.2 / Wavelength: 0.918 Å |
Detector | Type: DECTRIS PILATUS3 2M / Detector: PIXEL / Date: Sep 23, 2014 / Details: mirror |
Radiation | Monochromator: DCM Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.918 Å / Relative weight: 1 |
Reflection | Resolution: 1.89→50 Å / Num. obs: 50638 / % possible obs: 99.7 % / Redundancy: 7.18 % / CC1/2: 0.999 / Rmerge(I) obs: 0.06 / Rrim(I) all: 0.065 / Net I/σ(I): 21.67 |
Reflection shell | Resolution: 1.89→1.99 Å / Redundancy: 6.95 % / Rmerge(I) obs: 1.32 / Mean I/σ(I) obs: 2.09 / Num. unique obs: 7167 / CC1/2: 0.733 / % possible all: 100 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.89→43.65 Å / Cor.coef. Fo:Fc: 0.96 / Cor.coef. Fo:Fc free: 0.932 / SU B: 9.54 / SU ML: 0.137 / Cross valid method: THROUGHOUT / ESU R: 0.165 / ESU R Free: 0.159 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
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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: 49.947 Å2
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Refinement step | Cycle: 1 / Resolution: 1.89→43.65 Å
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