Glutamine (Gln, Q)

NMR-Data [1] of Glutamine:

	Atom	Atomtyp	chemical shift [ppm]1			Random Coil chem. shift 3	Random Coil chem. shift 4
			average	standard deviation	entries2
	H	H	8.218	0.684	33299	8.32	8.29
	Hα	H	4.268	0.439	25740	4.34	4.65
	Hβ2	H	2.042	0.273	23494	2.12	2.09
	Hβ3	H	2.012	0.317	22302	1.99	1.93
	Hγ2	H	2.312	0.351	22128	2.36	2.38
	Hγ3	H	2.29	0.38	20418	2.36	2.38
	Hε21	H	7.212	0.508	16963	7.52	7.53
	Hε22	H	7.04	0.96	16868	6.85	6.88
	C	C	176.381	11.294	21300	176.0	174.4
	Cα	C	56.593	2.184	29520	55.7	53.7
	Cβ	C	29.211	2.091	27695	29.4	28.8
	Cγ	C	33.783	1.829	19117	33.7	33.4
	Cδ	C	179.252	7.944	2022	180.5	180.5
	N	N	119.871	3.968	31370	119.8	120.6
	Nε2	N	111.86	2.146	15151	112.1	112.1
proportion of proteines	pK2 COOH		pK1COOH	isoelectrical point		pK1NH2	pK2NH2
7.5%	–		2.17	5.65		9.13	–
CAS- number	molar mass		formula	density		melting point	solubility
56-85-9 (L-Enantiomer) 5959-95-5 (D-Enantiomer) 585-21-7 (DL-glutamine)	146,15 g·mol−1		C5H10N2O3			185–186 °C	in water: 26 g·l−1 (18 °C) not in methanol, benzole and chloroform

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