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BMRB: 16391

2KLR

13C and 15N Chemical Shift Assignments for human alphaB-crystallin

Authors

Jehle, S., Rossum, B.V., Markovic, S., Rajagopal, P., Klevit, R.E., Oschkinat, H.

Assembly

alphaB-crystallin oligomer

Entity

1. alphaB-crystallin oligomer (polymer, Thiol state: not present), 175 monomers, 20158.63 Da Detail

MDIAIHHPWI RRPFFPFHSP SRLFDQFFGE HLLESDLFPT STSLSPFYLR PPSFLRAPSW FDTGLSEMRL EKDRFSVNLD VKHFSPEELK VKVLGDVIEV HGKHEERQDE HGFISREFHR KYRIPADVDP LTITSSLSSD GVLTVNGPRK QVSGPERTIP ITREEKPAVT AAPKK

Formula weight

20158.63 Da

Source organism

Homo sapiens

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 82.9 %, Completeness: 65.3 %, Completeness (bb): 74.2 % Detail

Polymer type: polypeptide(L)

	Total	¹³C	¹⁵N
All	65.3 % (656 of 1004)	63.5 % (533 of 839)	74.5 % (123 of 165)
Backbone	74.2 % (501 of 675)	73.1 % (378 of 517)	77.8 % (123 of 158)
Sidechain	55.4 % (275 of 496)	56.2 % (275 of 489)	0.0 % (0 of 7)
Aromatic	21.3 % (23 of 108)	21.7 % (23 of 106)	0.0 % (0 of 2)
Methyl	65.9 % (56 of 85)	65.9 % (56 of 85)

1. alphaB-crystallin

MDIAIHHPWI RRPFFPFHSP SRLFDQFFGE HLLESDLFPT STSLSPFYLR PPSFLRAPSW FDTGLSEMRL EKDRFSVNLD VKHFSPEELK VKVLGDVIEV HGKHEERQDE HGFISREFHR KYRIPADVDP LTITSSLSSD GVLTVNGPRK QVSGPERTIP ITREEKPAVT AAPKK

Show sample condition

Sample #1

Solvent system 100% H2O, Temperature 270 K, pH 7.6

#	Name	Isotope labeling	Type	Concentration
1	alphaB-crystallin	[U-100% 13C; U-100% 15N]		20 mg
2	H2O	natural abundance		100 %

Sample #2

Solvent system 100% H2O, Temperature 270 K, pH 7.6

#	Name	Isotope labeling	Type	Concentration
3	alphaB-crystallin	[1,3-13C]-glycerol; U-100% 15N]		18 mg
4	H2O	natural abundance		100 %

Sample #3

Solvent system 100% H2O, Temperature 270 K, pH 7.6

#	Name	Isotope labeling	Type	Concentration
5	alphaB-crystallin	[2-13C]-glycerol ; U-100% 15N		17 mg
6	H2O	natural abundance		100 %

Sample #4

Solvent system 100% H2O, Temperature 270 K, pH 7.6

#	Name	Isotope labeling	Type	Concentration
7	alphaB-crystallin	PFMW [U-100% 13C; U-100% 15N]		18 mg
8	H2O	natural abundance		100 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	adamantane	methylene carbon	38.56 ppm	external	direct	1.0
¹⁵N	adamantane	methylene carbon	38.56 ppm	external	indirect	0.40298

Referencing offset: 0.23 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	adamantane	methylene carbon	38.56 ppm	external	direct	1.0
¹⁵N	adamantane	methylene carbon	38.56 ppm	external	indirect	0.40298

Referencing offset: 0.23 ppm, Outliers: 2 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	adamantane	methylene carbon	38.56 ppm	external	direct	1.0
¹⁵N	adamantane	methylene carbon	38.56 ppm	external	indirect	0.40298

Referencing offset: 0.24 ppm, Outliers: 1 Detail

Release date

2009-08-05

Citation 1

Assigning large proteins in the solid state: a MAS NMR resonance assignment strategy using selectively and extensively 13C-labelled proteins
Higman, V.A., Flinders, J., Hiller, M., Jehle, S., Markovic, S., Fiedler, S., Rossum, B.V., Oschkinat, H.
J. Biomol. NMR (2009), 44, 245-260, PubMed 19609683 , DOI 10.1007/s10858-009-9338-7 , Abstract

Show more 1 citaion

Citation 2

alphaB-crystallin: a hybrid solid-state/solution-state NMR investigation reveals structural aspects of the heterogeneous oligomer
Jehle, S., Rossum, B.V., Stout, J.R., Noguchi, S.M., Falber, K., Rehbein, K., Oschkinat, H., Klevit, R.E., Rajagopal, P.
J. Mol. Biol. (2009), 385, 1481-1497, PubMed 19041879 , DOI 10.1016/j.jmb.2008.10.097 , Abstract

Hide non-primary 1 citaion

Entries sharing articles BMRB: 1 entries Detail

BMRB: 25527 released on 2015-05-31
Title Chemical shift assignments and structure of the alpha-crystallin domain from human, HSPB5

Related entities 1. alphaB-crystallin oligomer, : 1 : 5 : 1 : 2 : 104 entities Detail

Interaction partners 1. alphaB-crystallin oligomer, : 26 interactors Detail

More details for 26 interactors identified by 15 citations

Experiments performed 12 experiments Detail

1 2D 13C-13C PDSD