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- PDB-4a81: Crystal Structure of Major Birch Pollen Allergen Bet v 1 a in ter... -
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Open data
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Basic information
Entry | Database: PDB / ID: 4a81 | ||||||
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Title | Crystal Structure of Major Birch Pollen Allergen Bet v 1 a in ternary complex with 8-Anilinonaphthalene-1-sulfonate (ANS) and deoxycholic acid | ||||||
![]() | MAJOR POLLEN ALLERGEN BET V 1-A | ||||||
![]() | ALLERGEN / PR-10 PROTEIN | ||||||
Function / homology | ![]() response to biotic stimulus / abscisic acid binding / abscisic acid-activated signaling pathway / protein phosphatase inhibitor activity / defense response / signaling receptor activity / nucleus / cytoplasm Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Kofler, S. / Brandstetter, H. | ||||||
![]() | ![]() Title: Crystallographically Mapped Ligand Binding Differs in High and Low Ige Binding Isoforms of Birch Pollen Allergen Bet V 1. Authors: Kofler, S. / Asam, C. / Eckhard, U. / Wallner, M. / Ferreira, F. / Brandstetter, H. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 51 KB | Display | ![]() |
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PDB format | ![]() | 34.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 984.9 KB | Display | ![]() |
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Full document | ![]() | 988 KB | Display | |
Data in XML | ![]() | 10.6 KB | Display | |
Data in CIF | ![]() | 14.1 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4a80SC ![]() 4a83C ![]() 4a84C ![]() 4a85C ![]() 4a86C ![]() 4a87C ![]() 4a88C ![]() 4a8gC ![]() 4a8uC ![]() 4a8vC C: citing same article ( S: Starting model for refinement |
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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
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 17461.594 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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-Non-polymers , 6 types, 113 molecules ![](data/chem/img/SO4.gif)
![](data/chem/img/DXC.gif)
![](data/chem/img/2AN.gif)
![](data/chem/img/MPD.gif)
![](data/chem/img/NA.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/DXC.gif)
![](data/chem/img/2AN.gif)
![](data/chem/img/MPD.gif)
![](data/chem/img/NA.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-SO4 / |
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#3: Chemical | ChemComp-DXC / ( |
#4: Chemical | ChemComp-2AN / |
#5: Chemical | ChemComp-MPD / ( |
#6: Chemical | ChemComp-NA / |
#7: Water | ChemComp-HOH / |
-Details
Sequence details | STARTING METHIONINE |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.97 Å3/Da / Density % sol: 37.49 % / Description: NONE |
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Crystal grow | pH: 7 / Details: pH 7 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() |
Detector | Type: MAR scanner 345 mm plate / Detector: IMAGE PLATE / Date: Jan 19, 2011 / Details: MIRRORS |
Radiation | Monochromator: MIRRORS / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.05→37.8 Å / Num. obs: 7579 / % possible obs: 88.3 % / Observed criterion σ(I): 0 / Redundancy: 2.6 % / Rmerge(I) obs: 0.05 / Net I/σ(I): 13 |
Reflection shell | Resolution: 2.05→2.16 Å / Redundancy: 2.4 % / Rmerge(I) obs: 0.16 / Mean I/σ(I) obs: 5.9 / % possible all: 90.5 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 4A80 Resolution: 2.05→37.8 Å / Cor.coef. Fo:Fc: 0.957 / Cor.coef. Fo:Fc free: 0.92 / SU B: 4.985 / SU ML: 0.136 / Cross valid method: THROUGHOUT / ESU R: 0.34 / ESU R Free: 0.222 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES REFINED INDIVIDUALLY.
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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: 20.571 Å2
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Refinement step | Cycle: LAST / Resolution: 2.05→37.8 Å
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Refine LS restraints |
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