BMRB: 30960

Solution NMR Structure of Immunoglobulin-like Domain of Human Neuregulin-1

Authors

Eletsky, A., Kim, Y., Rogals, M.J., Prestegard, J.H.

Assembly

Neuregulin-1

Entity

1. Neuregulin-1 (polymer), 118 monomers, 13323.96 Da Detail

MHHHHHHSSG RENLYFQGAL PPRLKEMKSQ ESAAGSKLVL RCETSSEYSS LRFKWFKNGN ELNRKNKPQN IKIQKKPGKS ELRINKASLA DSGEYMCKVI SKLGNDSASA NITIVESN

Formula weight

13323.96 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 94.9 %, Completeness: 93.2 %, Completeness (bb): 93.9 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	93.2 % (1310 of 1406)	93.3 % (693 of 743)	93.4 % (493 of 528)	91.9 % (124 of 135)
Backbone	93.9 % (657 of 700)	93.7 % (224 of 239)	93.9 % (326 of 347)	93.9 % (107 of 114)
Sidechain	92.8 % (758 of 817)	93.1 % (469 of 504)	93.2 % (272 of 292)	81.0 % (17 of 21)
Aromatic	73.3 % (66 of 90)	73.3 % (33 of 45)	72.7 % (32 of 44)	100.0 % (1 of 1)
Methyl	100.0 % (94 of 94)	100.0 % (47 of 47)	100.0 % (47 of 47)

1. entity 1

MHHHHHHSSG RENLYFQGAL PPRLKEMKSQ ESAAGSKLVL RCETSSEYSS LRFKWFKNGN ELNRKNKPQN IKIQKKPGKS ELRINKASLA DSGEYMCKVI SKLGNDSASA NITIVESN

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 2.0 mM [U-13C; U-15N] NRG1-Ig, 20 mM sodium phosphate, 100 mM sodium chloride, 4 uM DSS, 0.05 % w/w sodium azide, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
1	NRG1-Ig	[U-13C; U-15N]		2.0 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		100 mM
4	DSS	natural abundance		4 uM
5	sodium azide	natural abundance		0.05 % w/w

Sample #2

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.45 mM [U-13C; U-15N] NRG1-Ig, 20 mM sodium phosphate, 100 mM sodium chloride, 4 uM DSS, 0.05 % w/w sodium azide, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
6	NRG1-Ig	[U-13C; U-15N]		0.45 mM
7	sodium phosphate	natural abundance		20 mM
8	sodium chloride	natural abundance		100 mM
9	DSS	natural abundance		4 uM
10	sodium azide	natural abundance		0.05 % w/w

Sample #3

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.34 mM [5% 13C; U-15N] NRG1-Ig, 20 mM TRIS, 300 mM sodium chloride, 5 uM DSS, 0.05 % w/w sodium azide, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
11	NRG1-Ig	[5% 13C; U-15N]		0.34 mM
12	sodium chloride	natural abundance		300 mM
13	DSS	natural abundance		5 uM
14	sodium azide	natural abundance		0.05 % w/w
15	TRIS	natural abundance		20 mM

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Release date

2021-11-04

Citation

Validated determination of NRG1 Ig-like domain structure by mass spectrometry coupled with computational modeling
Khaje, N.A., Mobley, C.K., Eletsky, A., Rogals, M.J., Kim, Y., Biehn, S.E., Mishra, S., Lindert, S., Prestegard, J.H., Sharp, J.S.
Commun. Biol. (2022), 5, 452-452, PubMed 35551273 , DOI 10.1038/s42003-022-03411-y , Abstract

Related entities 1. Neuregulin-1, : 1 : 2 : 255 entities Detail

Interaction partners 1. Neuregulin-1, : 6 interactors Detail

Experiments performed 13 experiments Detail