+Open data
-Basic information
Entry | Database: PDB / ID: 3ueu | ||||||
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Title | Bovine beta-lactoglobulin complex with lauric acid | ||||||
Components | Beta-lactoglobulin | ||||||
Keywords | TRANSPORT PROTEIN / beta-barrel / beta protein / lipocalin / milk protein | ||||||
Function / homology | Function and homology information retinol binding / long-chain fatty acid binding / extracellular region / identical protein binding Similarity search - Function | ||||||
Biological species | Bos taurus (cattle) | ||||||
Method | X-RAY DIFFRACTION / MOLREP / Resolution: 2.1 Å | ||||||
Authors | Loch, J. / Lewinski, K. | ||||||
Citation | Journal: Int.J.Biol.Macromol. / Year: 2012 Title: Bovine beta-lactoglobulin complex with lauric acid Authors: Loch, J.I. / Polit, A. / Bonarek, P. / Olszewska, D. / Kurpiewska, K. / Dziedzicka-Wasylewska, M. / Lewinski, K. | ||||||
History |
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Remark 650 | AUTHOR DETERMINED HELIX SECONDARY STRUCTURE RECORD |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3ueu.cif.gz | 47 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3ueu.ent.gz | 32.3 KB | Display | PDB format |
PDBx/mmJSON format | 3ueu.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ue/3ueu ftp://data.pdbj.org/pub/pdb/validation_reports/ue/3ueu | HTTPS FTP |
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-Related structure data
Related structure data | 3uevC 3uewC 3uexC 1bsyS C: citing same article (ref.) S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 18301.174 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Bos taurus (cattle) / References: UniProt: P02754 |
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#2: Chemical | ChemComp-DAO / |
#3: Chemical | ChemComp-CL / |
#4: 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: 2.44 Å3/Da / Density % sol: 49.51 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: 1.34 M trisodium citrarte, 0.1 Tris-HCl buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 110 K |
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Diffraction source | Source: SEALED TUBE / Type: OTHER / Wavelength: 1.54 Å |
Detector | Type: AGILENT ATLAS CCD / Detector: CCD / Date: Oct 20, 2009 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54 Å / Relative weight: 1 |
Reflection | Resolution: 2.1→11.38 Å / Num. all: 10953 / Num. obs: 10865 / % possible obs: 99.2 % / Rmerge(I) obs: 0.044 / Net I/σ(I): 11.5 |
Reflection shell | Resolution: 2.1→2.21 Å / Rmerge(I) obs: 0.169 / Mean I/σ(I) obs: 2.8 / % possible all: 99.2 |
-Processing
Software |
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Refinement | Method to determine structure: MOLREP Starting model: pdb entry 1BSY Resolution: 2.1→11.38 Å / Cor.coef. Fo:Fc: 0.944 / Cor.coef. Fo:Fc free: 0.923 / SU B: 5.843 / SU ML: 0.154 / Cross valid method: THROUGHOUT / ESU R Free: 0.206 / 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: 30.878 Å2
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Refinement step | Cycle: LAST / Resolution: 2.1→11.38 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.1→2.153 Å / Total num. of bins used: 20
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