Glutamic acid (Glu, E)

NMR-Data [1] of glutamic acid:

	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
	Hα	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
	Cα	C	57.322	2.175	54861	56.6	54.2
	Cβ	C	30.027	2.138	51286	29.9	29.2
	Cγ	C	36.116	1.784	35173	35.6	35.0
	Cδ	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