Accurate measurement of H(N)-H(alpha) residual dipolar couplings in proteins. |
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| Authors: | M Cai H Wang E T Olejniczak R P Meadows A H Gunasekera N Xu S W Fesik |
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| Institution: | Pharmaceutical Discovery Division, Abbott Laboratories, Abbott Park, Illinois 60064, USA. |
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| 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. |
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