1u5s Experiments and Validation

Solution NMR

Source organism: Homo sapiens
Refinement method: simulated annealing, molecular dynamics, rigid body/torsion angle dynamics
Number of deposited models: 18 models

Sample information

Author description:
NMR structure of the complex between Nck-2 SH3 domain and PINCH-1 LIM4 domain
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)

Validation information

 
Structure ensemble information
Refinement method: simulated annealing, molecular dynamics, rigid body/torsion angle dynamics
Number of calculated models: 50
Number of deposited models: 18 (structures with the most reperesentative side chains orientations on the complex interface)
Representative model: 1 (closest to the average)

Experimental information

Sample 1
Contents: 1.0mM LIM4 of PINCH-1 U-15N,13C, 1.5mM SH3-3 of Nck-2 unlabeled, 25mM Phosphate buffer, 100mM NaCl, 0.1mM TCEP, 90% H2O, 10% D2O Recorded spectra: 15N/13C-edited 15N,13C-separated NOESY, 3D_13C-separated_NOESY, 3D_15N-separated_NOESY

Sample 2
Contents: 0.6mM SH3-3 of Nck-2 U-15N,13C, 2.5mM LIM4 of PINCH-1, 25mM Phosphate buffer, 100mM NaCl, 0.1mM TCEP, 90% H2O, 10% D2O Recorded spectra: 15N/13C-edited 15N,13C-separated NOESY, 3D_13C-separated_NOESY, 3D_15N-separated_NOESY

Sample 3
Contents: 1.3mM SH3-3 of Nck-2 U-15N,13C, 25mM Phosphate buffer, 100mM NaCl, 0.1mM TCEP, 90% H2O, 10% D2O Recorded spectra:

Sample 4
Contents: 1.7mM LIM4 of PINCH-1, U-15N,13C 25mM Phosphate buffer, 100mM NaCl, 0.1mM TCEP, 90% H2O, 10% D2O Recorded spectra:

Samples and spectra
NMR spectrometers used
Varian INOVA 500 MHz