Water-Protein Interaction

Detection of NOEs/ROEs and/or chemical exchange between water molecules and protein protons ( 89JACS1871 ) allows the precise location of the bound water molecules to be determined. Excellent reviews in 94PROG171 , 95ACR171 , 95PROG635 , 96ENC3796 , 97PROG259 , 98PROG193 . Also see Hydrogen Bonding

91SCI974, 92JACS7093

NMR Methods:

NMR experiments to investigate water-protein interactions are generally composed by three building blocks: i) Selective excitation of the water magnetization, ii) Magnetization transfer from water to protein protons, iii)Labeling of protein protons and final acquisition. Applications:

  • Water-selective 1D NOESY and ROESY experiments ( 96JMRB282-112 ). Some applications:
  • selective ge-1D EXSY experiment.
  • CLEANEX experiment to detect water-protein proton exchange and intermolecular NOEs ( 97JACS6203). Extension to a 2D CLEANEX-HSQC experiment.
  • Water-selective saturation-transfer experiment (WaterLOGSY) to detect ligand binding affinity to proteins and for NMR screening ( 00JB65-18, 01JB349-21, 02JMC2610 and 05MRC69)
  • Water-selective 2D 1H experiments such as NOESY-NOESY, NOESY-TOCSY, ROESY-NOESY, and ROESY-TOCSY pulse sequences ( 96JMRB282-112 , 99JB73 , 99JB213 and 00JB323 ) (also see 2D EXSY and ge-2D EXSY experiments).
  • Water-selective 2D inverse experiments such as NOESY-HMQC, TOCSY-HMQC, ROESY-HMQC and related -HSQC pulse sequences (see ge-2D PHOGSY experiment ( 95JMRB334-109 , 93JACS8907 , 93JB627 and 02MRC559 ).
  • 3D homonuclear experiments like 3D NOESY-TOCSY and 3D ROESY-TOCSY experiments ( 91JB209 and 95JB353 )
  • Quantitative measurement of water diffusion lifetimes from the ratios of ROE and NOE cross correlation rates between water and NH ( 01JB111-10 )
  • Applications:

  • Water-protein interactions:
    • Interleukin 1b ( 90BIO5671 )
    • FK506 binding protein/immunosuppressant complex ( 93BIO2473 )
    • RNase T1 ( 98JB1-11 )
    • Collagen triple helix ( 00JMB1041-300 )
    • Oxidized Horse Heart Cytochrome ( 97FEBS45-415 and 00JMR1-147 )
  • Water-DNA interaction in 98JMB847 and 98JMB859 .