+Open data
-Basic information
Entry | Database: PDB / ID: 6awr | ||||||
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Title | Structure of PR 10 Allergen Ara h 8.01 in complex with ANS | ||||||
Components | Ara h 8 allergen | ||||||
Keywords | PROTEIN BINDING / PLANT PROTEIN / PEANUT / ALLERGEN | ||||||
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 Similarity search - Function | ||||||
Biological species | Arachis hypogaea (peanut) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.6 Å | ||||||
Authors | Offermann, L.R. / McBride, J. / Hurlburt, B.K. / Maleki, S.J. / Pote, S.S. / Perdue, M. / Chruszcz, M. | ||||||
Citation | Journal: To Be Published Title: Structure of PR-10 Allergen Ara h 8.01. Authors: Offermann, L.R. / Yarbrough, J. / McBride, J. / Hurlburt, B.K. / Maleki, S.J. / Pote, S.S. / Chruszcz, M. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6awr.cif.gz | 143.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6awr.ent.gz | 111.8 KB | Display | PDB format |
PDBx/mmJSON format | 6awr.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/aw/6awr ftp://data.pdbj.org/pub/pdb/validation_reports/aw/6awr | HTTPS FTP |
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-Related structure data
Related structure data | 6awsC 6awtC 6awuC 6awvC 6awwC 6awxC 6awyC 6awzC 6ax0C 4mapS S: Starting model for refinement C: citing same article (ref.) |
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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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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments: Component-ID: 0 / Ens-ID: 1 / Beg auth comp-ID: GLY / Beg label comp-ID: GLY / End auth comp-ID: TYR / End label comp-ID: TYR / Refine code: 0 / Auth seq-ID: 2 - 157 / Label seq-ID: 2 - 157
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-Components
#1: Protein | Mass: 16973.211 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Arachis hypogaea (peanut) / Production host: Escherichia coli BL21 (bacteria) / References: UniProt: Q6VT83 #2: Chemical | #3: Chemical | #4: Chemical | #5: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.25 Å3/Da / Density % sol: 45.23 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, sitting drop / pH: 8.5 Details: 100 mM Tris, pH 8.5, 200 mM lithium sulfate, 32% PEG 4000 PH range: 8.5 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 19-BM / Wavelength: 1 Å |
Detector | Type: ADSC QUANTUM 210r / Detector: CCD / Date: Nov 24, 2013 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.6→50 Å / Num. obs: 39114 / % possible obs: 98.9 % / Observed criterion σ(I): -3 / Redundancy: 4 % / Rmerge(I) obs: 0.03 / Rpim(I) all: 0.019 / Rrim(I) all: 0.04 / Rsym value: 0.03 / Net I/σ(I): 37 |
Reflection shell | Resolution: 1.6→1.63 Å / Redundancy: 3.9 % / Rmerge(I) obs: 0.373 / Mean I/σ(I) obs: 2.3 / Num. unique obs: 1953 / Rpim(I) all: 0.26 / Rrim(I) all: 0.529 / Rsym value: 0.373 / % possible all: 99.1 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 4MAP Resolution: 1.6→43.65 Å / Cor.coef. Fo:Fc: 0.971 / Cor.coef. Fo:Fc free: 0.956 / SU B: 3.822 / SU ML: 0.068 / Cross valid method: THROUGHOUT / ESU R: 0.091 / ESU R Free: 0.094 / 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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 28.155 Å2
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Refinement step | Cycle: 1 / Resolution: 1.6→43.65 Å
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Refine LS restraints |
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