title: Accurate measurement of H(N)-H(alpha) residual dipolar couplings in proteins.
abstract: A method for accurately measuring H(N)-H(alpha) residual dipolar couplings is described. Using this technique, both the sign and magnitude of the coupling can be determined easily. Residual dipolar coupling between H(N)(i)-H(alpha)(i) and H(N)(i)-H(alpha)(i-1) were measured for the FK506 binding protein complexed to FK506. The experimental values were in excellent agreement with predictions based on an X-ray crystal structure of the protein/ligand complex, suggesting that these residual dipolar couplings will provide accurate structural constraints for the refinement of protein structures determined by NMR.
authors.affiliation: Pharmaceutical Discovery Division, Abbott Laboratories, Abbott Park, Illinois 60064, USA.
authors.forename: M
authors.initials: M
authors.lastname: Cai
authors.forename: H
authors.initials: H
authors.lastname: Wang
authors.forename: E T
authors.initials: ET
authors.lastname: Olejniczak
authors.forename: R P
authors.initials: RP
authors.lastname: Meadows
authors.forename: A H
authors.initials: AH
authors.lastname: Gunasekera
authors.forename: N
authors.initials: N
authors.lastname: Xu
authors.forename: S W
authors.initials: SW
authors.lastname: Fesik
mesh_terms: D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D011506:Proteins / Q000737:chemistry*
chemical_list: D011506:Proteins