PMID- 7647559 OWN - NLM STAT- MEDLINE DCOM- 19950922 LR - 20190920 IS - 0925-2738 (Print) IS - 0925-2738 (Linking) VI - 5 IP - 4 DP - 1995 Jun TI - Probing internal water molecules in proteins using two-dimensional 19F-1H NMR. PG - 415-9 AB - A simple approach for detecting internal water molecules in proteins in solution is described. This approach combines 19F-detected heteronuclear Overhauser and exchange spectroscopy (HOESY) with site-specific 19F substitution. The model system employed was intestinal fatty acid-binding protein complexed with [2-mono-19F]-palmitate. An intense cross peak was observed between the fluorine and a buried water molecule, as defined in the 1.98 A crystal structure of the complex. From HOESY spectra, the fluorine-water distance was estimated to be 2.1 A, in agreement with the crystal structure. This approach may be applicable to macromolecules that are too large for 1H-detected NMR methods. FAU - Cistola, D P AU - Cistola DP AD - Department of Biochemistry and Molecular Biophysics, Washington University School of Medicine, St. Louis, MO 63110-1093, USA. FAU - Hall, K B AU - Hall KB LA - eng GR - GM46318/GM/NIGMS NIH HHS/United States PT - Journal Article PT - Research Support, Non-U.S. Gov't PT - Research Support, U.S. Gov't, Non-P.H.S. PT - Research Support, U.S. Gov't, P.H.S. PL - Netherlands TA - J Biomol NMR JT - Journal of biomolecular NMR JID - 9110829 RN - 0 (Carrier Proteins) RN - 0 (Fabp7 protein, rat) RN - 0 (Fatty Acid-Binding Protein 7) RN - 0 (Fatty Acid-Binding Proteins) RN - 0 (Fatty Acids) RN - 0 (Macromolecular Substances) RN - 0 (Neoplasm Proteins) RN - 0 (Nerve Tissue Proteins) RN - 0 (Proteins) RN - 0 (Solutions) RN - 059QF0KO0R (Water) RN - 284SYP0193 (Fluorine) RN - 7YNJ3PO35Z (Hydrogen) SB - IM MH - Animals MH - Binding Sites MH - Carrier Proteins/chemistry MH - Fatty Acid-Binding Protein 7 MH - Fatty Acid-Binding Proteins MH - Fatty Acids/metabolism MH - Fluorine/chemistry MH - Hydrogen/chemistry MH - Macromolecular Substances MH - Magnetic Resonance Spectroscopy/*methods MH - Models, Molecular MH - Molecular Structure MH - *Neoplasm Proteins MH - *Nerve Tissue Proteins MH - Proteins/*chemistry MH - Rats MH - Solutions MH - Water/*chemistry EDAT- 1995/06/01 00:00 MHDA- 1995/06/01 00:01 CRDT- 1995/06/01 00:00 PHST- 1995/06/01 00:00 [pubmed] PHST- 1995/06/01 00:01 [medline] PHST- 1995/06/01 00:00 [entrez] AID - 10.1007/BF00182285 [doi] PST - ppublish SO - J Biomol NMR. 1995 Jun;5(4):415-9. doi: 10.1007/BF00182285.