+Open data
-Basic information
Entry | Database: PDB / ID: 1uz2 | ||||||
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Title | The Cys121Ser Mutant of Beta-Lactoglobulin | ||||||
Components | BETA-LACTOGLOBULIN | ||||||
Keywords | TRANSPORT PROTEIN / LIPOCALIN / BETA-BARREL / MILK / WHEY RETINOL-BINDING / ALLERGEN | ||||||
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 / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.95 Å | ||||||
Authors | McNae, I. / Jayat, D. / Haertle, T. / Holt, C. / Sawyer, L. | ||||||
Citation | Journal: Biochemistry / Year: 2004 Title: A recombinant C121S mutant of bovine beta-lactoglobulin is more susceptible to peptic digestion and to denaturation by reducing agents and heating. Authors: Jayat, D. / Gaudin, J.C. / Chobert, J.M. / Burova, T.V. / Holt, C. / McNae, I. / Sawyer, L. / Haertle, T. #1: Journal: Eur.J.Biochem. / Year: 2001 Title: Crystal Structures of the Bovine Beta-Lactoglobulin in the Orthorhombic Space Group C2221: Structural Differences between Genetic Variants a and B and the Nature of Tanford Transition Authors: Oliveira, K.M.G. / Valente-Mesquita, V.L. / Botelho, M.M. / Sawyer, L. / Ferreira, S.T. / Polikarpov, I. #2: Journal: Int.J.Food Sci.Technol. / Year: 1999 Title: Expression of Recombinant Wild Type and Mutant Beta-Lactoglobulin in the Yeast Pichia Pastoris Authors: Wilson, C. / Quarrie, L. / Allan, G.J. / Flint, D.J. / Sawyer, L. / Holt, C. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1uz2.cif.gz | 47.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1uz2.ent.gz | 33.1 KB | Display | PDB format |
PDBx/mmJSON format | 1uz2.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1uz2_validation.pdf.gz | 422.6 KB | Display | wwPDB validaton report |
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Full document | 1uz2_full_validation.pdf.gz | 426.9 KB | Display | |
Data in XML | 1uz2_validation.xml.gz | 9.3 KB | Display | |
Data in CIF | 1uz2_validation.cif.gz | 12.1 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/uz/1uz2 ftp://data.pdbj.org/pub/pdb/validation_reports/uz/1uz2 | HTTPS FTP |
-Related structure data
Related structure data | 1qg5S 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: 18371.199 Da / Num. of mol.: 1 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) BOS TAURUS (cattle) Description: BETA-LACTOGLOBULIN IS NORMALLY OBTAINED FROM MILK. MATURE CODING SEQUENCE Variant: A VARIANT / Production host: PICHIA PASTORIS (fungus) / References: UniProt: P02754 |
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#2: Water | ChemComp-HOH / |
Sequence details | THE A VARIANT DIFFERS FROM THE EQUALLY COMMON B-VARIANT AT G64D AND A118V |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.093 Å3/Da / Density % sol: 39.42 % |
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Crystal grow | Method: vapor diffusion, hanging drop / pH: 7.5 Details: HANGING DROPS WITH 20 MG/ML PROTEIN PLUS APPROX 2M AMMONIUM SULPHATE, 10MM HEPES, PH 7.5 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SRS / Beamline: PX14.1 / Wavelength: 1.488 |
Detector | Type: ADSC CCD / Detector: CCD / Date: Feb 15, 2003 / Details: MIRRORS |
Radiation | Monochromator: CRYSTAL / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.488 Å / Relative weight: 1 |
Reflection | Resolution: 1.95→46 Å / Num. obs: 11241 / % possible obs: 99.5 % / Redundancy: 5.7 % / Rmerge(I) obs: 0.076 / Net I/σ(I): 5.7 |
Reflection shell | Resolution: 1.95→2 Å / Rmerge(I) obs: 0.23 / Mean I/σ(I) obs: 2.6 / % possible all: 99.5 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1QG5 Resolution: 1.95→45.64 Å / Cor.coef. Fo:Fc: 0.945 / Cor.coef. Fo:Fc free: 0.914 / SU B: 4.567 / SU ML: 0.132 / Cross valid method: THROUGHOUT / ESU R: 0.21 / ESU R Free: 0.188 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS ADDED IN THEIR RIDING POSITIONS. AS USUAL WITH COW LACTOGLOBULIN STRUCTURES THERE ARE SEVERAL INDISTINCT SURFACE LOOPS PRINCIPALLY AROUND 64, 88, 114 AND AFTER 152. THE DISULPHIDE ...Details: HYDROGENS ADDED IN THEIR RIDING POSITIONS. AS USUAL WITH COW LACTOGLOBULIN STRUCTURES THERE ARE SEVERAL INDISTINCT SURFACE LOOPS PRINCIPALLY AROUND 64, 88, 114 AND AFTER 152. THE DISULPHIDE BRIDGE BETWEEN C66 AND C160 HAS VIRTUALLY NO ELECTRON DENSITY.
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 35.58 Å2
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Refinement step | Cycle: LAST / Resolution: 1.95→45.64 Å
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