NMR- data [1] of serine:

Serin Atom Atomtyp chemical shift [ppm]1 Random Coil
chem. shift 3
Random Coil
chem. shift 4
Mittelwert Standardabweichung Datenbasis2
H H  8.279 0.615 50449  8.31  8.26
H  4.483 0.497 39760  4.47  4.78
Hβ2 H  3.868 0.279 36618  3.89  3.85
Hβ3 H  3.841 0.296 33894  3.87  3.85
H  5.518 1.205 678
C C  174.601 3.204 32500  174.6  173.1
C  58.716 2.219 45339  58.3  56.4
C  63.713 5.383 42264  63.8  63.3
N N  116.28 3.93  42792  115.7  116.6
proportion of proteins pK2 COOH pK1COOH isoelectrical
point
pK1NH2 pK2NH2
 7.1%  –  2.21  5.68  9.15  –
CAS- number molar mass formula density melting point solubility
  • 56-45-1 (L-Serine)
  • 312-84-5 (D-Serine)
  • 302-84-1 (DL-Serine)
 105,09 g·mol−1  C3H7NO3  215–225 °C
  • good in water (360 g·l−1 at 20 °C)
  • not soluble  in diethylether and ethanol

1 Depending on the type of atom it was 1H, 13C or 15N chemical shift. 1H und 13C relative to TMS and 15N relative to liquid ammonia

2 Number of individual chemical shift data for averaging according to [2]

3 with Alanine as neighborhood in the hexapeptide Gly-Gly-X-Ala-Gly-Gly [3]

4 with Proline as neighborhood in the hexapeptide Gly-Gly-X-Pro-Gly-Gly [3]


3D- Modell

sources:

[1] “BioMagResBank”, Eldon L. Ulrich; Hideo Akutsu; Jurgen F. Doreleijers; Yoko Harano; Yannis E. Ioannidis; Jundong Lin; Miron Livny; Steve Mading; Dimitri Maziuk; Zachary Miller; Eiichi Nakatani; Christopher F. Schulte; David E. Tolmie; R. Kent Wenger; Hongyang Yao; John L. Markley; Nucleic Acids Research 36, D402-D408 (2008) doi: 10.1093/nar/gkm957

[2] http://www.bmrb.wisc.edu/ last visit march 2017

[3] David S. Wishart, Colin G. Bigam, Arne Holm, Robert S. Hodges, Brian D. Sykes; Journal of Biomolecular NMR
January 1995, Volume 5, Issue 1, pp 67-81 doi:10.1007/BF00227471

[4] Wikipedia http://de.wikipedia.org/wiki/Aminos%C3%A4uren (last visit january 2014)

[5] Wikipedia http://de.wikipedia.org/wiki/Alanin (las visit Januar 2014)proportion of proteinsproportion of proteins

3D Mol: Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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