NMR- data [1] of Methionine:

 Methionin Atom Atomtyp Chemical shift [ppm]1 Random Coil
chem. shift3
Random Coil
chem. shift4
average standard deviation entries2
H H  8.260 0.625 16373  8.28  8.25
H  4.423 2.756 12988  4.48  4.82
Hβ2 H  2.021 0.632 11698  2.11  2.04
Hβ3 H  1.990 0.563 11022  2.01  1.97
Hγ2 H  2.35 1.633 10823  2.60  2.63
Hγ3 H  2.338 1.763 10200  2.54  2.56
H  1.733 1.786 7978  2.10  2.12
C C 176.138 3.854 10752  176.3  174.6
C  56.129 2.338 15138  55.4  53.3
C  32.988 2.508 14032  32.9  32.4
C  32.046 1.706 9038  32.0  32.0
C  17.206  2.736 7031  16.9  17.0
N N  120.064  4.873 15555  119.6  120.7
proportion of proteins pK2 COOH pK1COOH isoelectrical point pK1NH2 pK2NH2
 1.7%  –  2.28  5.74  9.21  –
CAS- number molar mass formula density melting point solubility
  • 63-68-3 (L-Enantiomer)
  • 348-67-4 (D-Enantiomer)
  • 59-51-8 {DL-Methionine }
 149,21 g·mol−1  C5H11NO2S  1,34 g·cm−3 280–281 °C (decomposition)  in water: 48 g·l−1 (20 °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]

5 standard deviation


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

Leave a Reply

Time limit is exhausted. Please reload CAPTCHA.