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Yorodumi- PDB-4a86: Crystal Structure of Major Birch Pollen Allergen Bet v 1 a in ter... -
+Open data
-Basic information
Entry | Database: PDB / ID: 4a86 | ||||||
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Title | Crystal Structure of Major Birch Pollen Allergen Bet v 1 a in ternary complex with kinetin and 8-Anilinonaphthalene-1-sulfonate (ANS) | ||||||
Components | MAJOR POLLEN ALLERGEN BET V 1-A | ||||||
Keywords | ALLERGEN / PR-10 PROTEIN | ||||||
Function / homology | Function and homology information response to biotic stimulus / abscisic acid binding / abscisic acid-activated signaling pathway / protein phosphatase inhibitor activity / defense response / signaling receptor activity / cytoplasm Similarity search - Function | ||||||
Biological species | BETULA PENDULA (European white birch) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.59 Å | ||||||
Authors | Kofler, S. / Brandstetter, H. | ||||||
Citation | Journal: J.Mol.Biol. / Year: 2012 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: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4a86.cif.gz | 87.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4a86.ent.gz | 66.2 KB | Display | PDB format |
PDBx/mmJSON format | 4a86.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/a8/4a86 ftp://data.pdbj.org/pub/pdb/validation_reports/a8/4a86 | HTTPS FTP |
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-Related structure data
Related structure data | 4a80SC 4a81C 4a83C 4a84C 4a85C 4a87C 4a88C 4a8gC 4a8uC 4a8vC 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: 17461.594 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) BETULA PENDULA (European white birch) / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: P15494 | ||||
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#2: Chemical | ChemComp-2AN / | ||||
#3: Chemical | ChemComp-H35 / | ||||
#4: Chemical | ChemComp-SO4 / #5: Water | ChemComp-HOH / | Sequence details | THE UNIPROT SEQUENCE IS FURTHER PROCESSED INTO A MATURE FORM. STARTING METHIONINE OF MATURE PROTEIN ...THE UNIPROT SEQUENCE IS FURTHER PROCESSED INTO A MATURE FORM. STARTING METHIONINE | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 1.96 Å3/Da / Density % sol: 37.44 % / 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: SYNCHROTRON / Site: ESRF / Beamline: ID14-4 / Wavelength: 0.91841 |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Apr 10, 2011 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.91841 Å / Relative weight: 1 |
Reflection | Resolution: 1.59→37.93 Å / Num. obs: 17743 / % possible obs: 96.2 % / Observed criterion σ(I): 0 / Redundancy: 3.7 % / Rmerge(I) obs: 0.05 / Net I/σ(I): 15.9 |
Reflection shell | Resolution: 1.59→1.67 Å / Redundancy: 3.8 % / Rmerge(I) obs: 0.46 / Mean I/σ(I) obs: 2.8 / % possible all: 93.6 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 4A80 Resolution: 1.59→37.93 Å / Cor.coef. Fo:Fc: 0.975 / Cor.coef. Fo:Fc free: 0.954 / SU B: 4.253 / SU ML: 0.068 / Cross valid method: THROUGHOUT / ESU R: 0.151 / ESU R Free: 0.101 / 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: 18.362 Å2
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Refinement step | Cycle: LAST / Resolution: 1.59→37.93 Å
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Refine LS restraints |
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