NMR-Data [1] of glutamic acid:

 Glutaminsaeure Atom Atomtyp chemical shift [ppm]1 Random Coil
chem. shift 3
Random Coil
chem. shift4
Mittelwert Standardabweichung Datenbasis2
H H  8.332  0.687 62155  8.42  8.34
H  4.247  0.437 47447  4.35  4.64
Hβ2 H  2.019  0.224 43261  2.06  2.06
Hβ3 H  1.994  0.232 40587  1.96  1.90
Hγ2 H  2.265  0.224 40309  2.31  2.31
Hγ3 H  2.244  0.228 37364  2.31  2.31
Hε2 H  7.171  3.299  5
C C  176.817  3.992 40322  176.6  174.9
C  57.322  2.175 54861  56.6  54.2
C  30.027  2.138 51286  29.9  29.2
C  36.116  1.784 35173  35.6  35.0
C  181.333  11.754 751  183.4  183.0
N N  120.672  4.382 59032  120.2  121.7
proportion of proteines pK2 COOH pK1COOH isoelectrical
point
pK1NH2 pK2NH2
 6.2%  4.25  2.19  3.22  9.67  –
CAS- Number molare mass formula density melting point solubility
  • 56-86-0 (L-Enantiomer)
  • 6893-26-1 (D-Enantiomer)
  • 617-65-2 (DL-glutamic acid)
 147,13 g·mol−1  C5H9NO4  1,54 g·cm−3 (20 °C)  160 °C
  • bad in water (11,1 g·l−1bei 25 °C)
  • bad in ethanol, not in Diethylether, acetone

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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