1FU6

NMR STRUCTURE OF THE N-SH2 DOMAIN OF THE P85 SUBUNIT OF PI3-KINASE


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
13D_13C-separated_NOESY1.5mM N-SH2 15N, 13C; 0.1mM KCl; 95% H2O, 5% D2O95% H2O/5% D2O0.1mM6.81 bar305
23D_15N-separated_NOESY1.5mM N-SH2 15N, 13C; 0.1mM KCl; 95% H2O, 5% D2O95% H2O/5% D2O0.1mM6.81 bar305
32D NOESY1.5mM N-SH2 15N, 13C; 0.1mM KCl; 95% H2O, 5% D2O95% H2O/5% D2O0.1mM6.81 bar305
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerDMX500
2BrukerDMX600
NMR Refinement
MethodDetailsSoftware
The structures were energy minimized with MSI DISCOVER.The structure with the lowest energy is presented.NMRLAB
NMR Ensemble Information
Conformer Selection Criteriastructures with favorable non-bond energy
Conformers Calculated Total Number110
Conformers Submitted Total Number1
Representative Model1 (lowest energy)
Additional NMR Experimental Information
DetailsNOESY assignments were obtained by a semi-automatic procedure employing a program from Pristovsek [Pristovsek, P. & Kidric, J. (1997) Biopol. 42, 671-679)].
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1processingNMRLABUlrich Guenther, Christian Ludwig and Heinz Rueterjans
2data analysisProntoM. Kjaer
3data analysisnmr2stP. Pristovsek
4structure solutionDYANAP. Guentert
5refinementDiscoverMSI