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231223s2007 xx ||||| 00| ||eng c |
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|a (DE-627)NLM169641708
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|a (NLM)17431856
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|a DE-627
|b ger
|c DE-627
|e rakwb
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|a eng
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1 |
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|a Huang, Xiaohua Stella
|e verfasserin
|4 aut
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|a Observation of O-H...N scalar coupling across a hydrogen bond in nocathiacin I
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|c 2007
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|a Text
|b txt
|2 rdacontent
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|a ohne Hilfsmittel zu benutzen
|b n
|2 rdamedia
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|a Band
|b nc
|2 rdacarrier
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|a Date Completed 20.08.2007
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|a Date Revised 10.12.2019
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|a published: Print
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|a Citation Status MEDLINE
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|a Copyright 2007 John Wiley & Sons, Ltd.
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|a We report here the observation of O-H...N hydrogen-bond (1h)J(N,OH) scalar coupling in a biologically active natural product. The intramolecular hydrogen bond between the threonine hydroxyl (Thr-OH) group and the thiazolyl nitrogen at the second thiazole ring (Thz-2) in nocathiacin I was directly detected by a 1H-15N HMBC NMR experiment. The magnitude of the scalar coupling constant (1h)J(N,OH) was accurately measured to be 1.8 +/- 0.1 Hz by a J-resolved 1H-15N HMBC experiment. By adding the O-H...N distance restraint, the 3D solution structure of nocathiacin I was refined. The structure refinement indicated that the distance between the Thr-3 hydroxyl hydrogen and the Thz-2 nitrogen is <or=2.50 A in all the refined structures, and there are no NOE restraint violations >or= 0.23 A. The presence of an intramolecular hydrogen bond in nocathiacin I is further supported by a number of NMR parameters and additional NMR experiments. This observation provides valuable information for characterizing molecular conformations, and for studying structure-activity relationships
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|a Journal Article
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|a Intercellular Signaling Peptides and Proteins
|2 NLM
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|a Nitrogen Isotopes
|2 NLM
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|a Peptides
|2 NLM
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|a nocathiacin I
|2 NLM
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|a Hydrogen
|2 NLM
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|a 7YNJ3PO35Z
|2 NLM
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|a Nitrogen
|2 NLM
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|a N762921K75
|2 NLM
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|a Oxygen
|2 NLM
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| 650 |
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|a S88TT14065
|2 NLM
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| 700 |
1 |
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|a Liu, Xiaohong
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Constantine, Keith L
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Leet, John E
|e verfasserin
|4 aut
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| 700 |
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|a Roongta, Vikram
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Magnetic resonance in chemistry : MRC
|d 1985
|g 45(2007), 6 vom: 15. Juni, Seite 447-50
|w (DE-627)NLM098179667
|x 1097-458X
|7 nnns
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| 773 |
1 |
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|g volume:45
|g year:2007
|g number:6
|g day:15
|g month:06
|g pages:447-50
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|d 45
|j 2007
|e 6
|b 15
|c 06
|h 447-50
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