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- PDB-6rwp: Engineered beta-lactoglobulin: variant L58F in complex with myris... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6rwp | ||||||
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Title | Engineered beta-lactoglobulin: variant L58F in complex with myristic acid | ||||||
![]() | Beta-lactoglobulin | ||||||
![]() | TRANSPORT PROTEIN / Lipocalin / mutation / lactoglobulin | ||||||
Function / homology | ![]() retinol binding / long-chain fatty acid binding / extracellular space / identical protein binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Loch, J.I. / Kaczor, K. / Lewinski, K. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Structure-based design approach to rational site-directed mutagenesis of beta-lactoglobulin. Authors: Bonarek, P. / Loch, J.I. / Tworzydlo, M. / Cooper, D.R. / Milto, K. / Wrobel, P. / Kurpiewska, K. / Lewinski, K. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 76.1 KB | Display | ![]() |
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PDB format | ![]() | 55.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 589.4 KB | Display | ![]() |
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Full document | ![]() | 590 KB | Display | |
Data in XML | ![]() | 8.8 KB | Display | |
Data in CIF | ![]() | 11.2 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6qi6C ![]() 6qi7C ![]() 6qpdC ![]() 6qpeC ![]() 6rwqC ![]() 6rwrC ![]() 6rytC ![]() 6xveC ![]() 1bsyS S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 18267.031 Da / Num. of mol.: 1 / Mutation: L1A, I2S, L58F Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
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#2: Chemical | ChemComp-MYR / |
#3: Chemical | ChemComp-SO4 / |
#4: Water | ChemComp-HOH / |
Has ligand of interest | Y |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.48 Å3/Da / Density % sol: 50.38 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 8 Details: 2.80 M (NH4)2SO4 in 0.1 M Tris-HCl pH 8.0, 5 mM myristic acid |
-Data collection
Diffraction | Mean temperature: 120 K / Serial crystal experiment: N | ||||||||||||||||||||||||||||||
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Diffraction source | Source: SEALED TUBE / Type: Agilent SuperNova / Wavelength: 1.54 Å | ||||||||||||||||||||||||||||||
Detector | Type: AGILENT ATLAS CCD / Detector: CCD / Date: Nov 14, 2014 | ||||||||||||||||||||||||||||||
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→15.18 Å / Num. obs: 11062 / % possible obs: 99.3 % / Redundancy: 2.9 % / CC1/2: 0.997 / Rmerge(I) obs: 0.059 / Rpim(I) all: 0.04 / Rrim(I) all: 0.072 / Net I/σ(I): 10.6 / Num. measured all: 31724 / Scaling rejects: 32 | ||||||||||||||||||||||||||||||
Reflection shell | Diffraction-ID: 1
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1BSY Resolution: 2.1→14.78 Å / Cor.coef. Fo:Fc: 0.952 / Cor.coef. Fo:Fc free: 0.917 / SU B: 10.12 / SU ML: 0.131 / Cross valid method: THROUGHOUT / ESU R: 0.214 / ESU R Free: 0.19 / 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: 29.32 Å2
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Refinement step | Cycle: LAST / Resolution: 2.1→14.78 Å
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Refine LS restraints |
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