NMR-data [1] of glycine:

Glycin Atom Atomtyp chemical shift [ppm]1 Random Coil
chem. shift 3
Random Coil
chem. shift 4
average standard deviation entries2
H H  8.332 0.929  59854  8.33  8.21
Hα2 H  3.963 0.40  45419  3.96  4.13
Hα3 H  3.891 0.414  43279
C C  173.825 3.967  37674  174.9  174.5
C  45.377 1.624 52443  45.1  44.5
N N  109.762 7.858 55256  108.8  109.1
proportion of proteines pK2 COOH pK1COOH isoelectrical
point
pK1NH2 pK2NH2
 7.5%  –  2.21  5.97  9.15  –
CAS- number molar mass formula density melting point solubility
 56-40-6  75,07 g·mol−1  C2H5NO2  1,60 g·cm−3 decomposition: 232–236 °C good in water (249,9 g·kg−1 at 25 °C;
391,0 g·kg−1 at 50 °C; 543,9 g·kg−1 at 75 °C;
671,7 g·kg−1 at 100 °C)

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/Asparagin (last visit january 2014)

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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