2IL6

HUMAN INTERLEUKIN-6, NMR, 32 STRUCTURES


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12/3/4D NOESY 6.1298
2TOCSY 6.1298
3ETC. 6.1298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianUNITY PLUS 600600
NMR Refinement
MethodDetailsSoftware
DISTANCE GEOMETRY AND SIMULATED ANNEALING.STRUCTURES ARE BASED ON 2961 INTERPROTON DISTANCE RESTRAINTS DERIVED FROM NMR MEASUREMENTS INCLUDING 138 HYDROGEN BOND RESTRAINTS FROM 69 HYDROGEN BONDS IDENTIFIED USING AMIDE EXCHANGE DATA AND INITIAL STRUCTURE CALCULATIONS. IN ADDITION, 83 PHI BACKBONE TORSION ANGLE RESTRAINTS WERE DERIVED FROM COUPLING CONSTANTS. THE METHOD USED TO DERIVE THE FINAL ENSEMBLE OF STRUCTURES IS THE HYBRID METRIC MATRIX DISTANCE GEOMETRY-DYNAMICAL SIMULATED ANNEALING METHOD (M. NILGES, G.M. CLORE, AND A.M. GRONENBORN (1988) FEBS LETT. 229, 317-324.X-PLOR
NMR Ensemble Information
Conformer Selection CriteriaLEAST RESTRAINT VIOLATION
Conformers Calculated Total Number75
Conformers Submitted Total Number32
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1refinementX-PLOR3.1BRUNGER
2structure solutionX-PLOR