- PDB-1ss3: Solution structure of Ole e 6, an allergen from olive tree pollen -
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Basic information
Entry
Database: PDB / ID: 1ss3
Title
Solution structure of Ole e 6, an allergen from olive tree pollen
Components
Pollen allergen Ole e 6
Keywords
ALLERGEN / alpha-helix protein
Function / homology
Pollen allergen ole e 6 / Pollen allergen ole e 6 / Pollen allergen ole e 6 superfamily / Pollen allergen Ole e 6 / IgG binding / Helix Hairpins / Orthogonal Bundle / Mainly Alpha / Major pollen allergen Ole e 6
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M
Radiation wavelength
Relative weight: 1
NMR spectrometer
Type: Bruker AVANCE / Manufacturer: Bruker / Model: AVANCE / Field strength: 600 MHz
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Processing
NMR software
Name
Version
Classification
XwinNMR
3.1
collection
XwinNMR
3.1
processing
ANSIG
3.3
dataanalysis
DYANA
1.5
structuresolution
DYANA
1.5
refinement
Amber
7
refinement
Refinement
Method: simulated annealing, torsion angle dynamics / Software ordinal: 1 Details: the structures are based on a total of 1428 unambigous NOEs, which leads to 900 upper limit distances. 486 relevant distance restraints, and 24 angle constraints were used. The best ...Details: the structures are based on a total of 1428 unambigous NOEs, which leads to 900 upper limit distances. 486 relevant distance restraints, and 24 angle constraints were used. The best conformers were energy-minimized with AMBER7
NMR representative
Selection criteria: lowest energy
NMR ensemble
Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 100 / Conformers submitted total number: 25
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