Journal of Biomolecular NMR

, Volume 2, Issue 1, pp 11–18 | Cite as

Identification of solvent-exposed regions of an FK-506 analog, ascomycin, bound to FKBP using a paramagnetic probe

  • Andrew M. Petros
  • Placido Neri
  • Stephen W. Fesik
Research Papers


The solvent-exposed regions of [U-13C]ascomycin when bound to its putative target protein; FKBP, have been identified based on the different proton longitudinal relaxation rates (R1 = 1/T1) measured in the absence and presence of the paramagnetic relaxation reagent, 4-hydroxy-2,2,6,6-tetramethyl-piperidinyl-I-oxy (HyTEMPO). The proton T1s of bound ascomycin were determined using a pulse sequence (T1-HMQC) which consists of a 180° proton pulse and a variable delay (τ) followed by a heteronuclear multiple quantum correlation (HMQC) experiment. The solvent-exposed regions of ascomycin determined by these experiments are compared to NOE data in which ascomycin/FKBP contacts were identified and to the X-ray structure of the FK-506/FKBP complex.


FKBP Ascomycin Paramagnetic relaxation Solvent-exposed regions of bound ligands T1 


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Copyright information

© ESCOM Science Publishers B.V. 1992

Authors and Affiliations

  • Andrew M. Petros
    • 1
  • Placido Neri
    • 1
  • Stephen W. Fesik
    • 1
  1. 1.Pharmaceutical Discovery DivisionAbbott LaboratoriesAbbott ParkUSA

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