BMRB: 11006

The Glycosylated EGF-Like Repeats 12 From Mouse NOTCH-1, NMR, Minimized Average Structure

Authors

Hiruma-Shimizu, K.H., Shimizu, H., Nishimura, S.

Assembly

Extracellular domain of mouse NOTCH 1EGF12

Entity

1. mouse NOTCH-1 EGF12 (polymer, Thiol state: all disulfide bound), 38 monomers, 4087.522 Da Detail

DVNECISNPC QNDATCLDQI GEFQCICMPG YEGVYCEX

2. disaccharide (polymer, Thiol state: not present), 2 monomers, 367.3487 Da

Total weight

4454.8706 Da

Max. entity weight

4087.522 Da

Entity Connection

na 2, disulfide 3 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS5:SG	1:CYS16:SG
2	disulfide	sing	1:CYS10:SG	1:CYS25:SG
3	disulfide	sing	1:CYS27:SG	1:CYS36:SG
4	na	sing	1:THR15:OG1	2:FUC1:C1
5	na	sing	2:FUC1:O3	2:NAG2:C1

Source organism

Mus musculus

Exptl. method

solution NMR

Refine. method

DGSA-DISTANCE GEOMETRY, SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.5 %, Completeness: 99.0 %, Completeness (bb): 97.3 % Detail

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Polymer type: polypeptide(L) polysaccharide(D)

	Total	1H
All	99.0 % (204 of 206)	99.0 % (204 of 206)
Backbone	97.3 % (73 of 75)	97.3 % (73 of 75)
Sidechain	100.0 % (131 of 131)	100.0 % (131 of 131)
Aromatic	100.0 % (13 of 13)	100.0 % (13 of 13)
Methyl	100.0 % (14 of 14)	100.0 % (14 of 14)

1. mouse NOTCH-1 EGF12

DVNECISNPC QNDATCLDQI GEFQCICMPG YEGVYCEX

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 5.3, Details This sample is a glycopeptide.

#	Name	Isotope labeling	Type	Concentration
1	mouse NOTCH-1 EGF12	natural abundance		0.55 mM
2	NAG b1-3 FUC	natural abundance		0.55 mM

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Calculated from 20 models in PDB: 2RQZ, Strand ID: A Detail

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Release date

2010-10-21

Citation

Chemical synthesis, folding, and structural insights into O-fucosylated epidermal growth factor-like repeat 12 of mouse Notch-1 receptor
Hiruma-Shimizu, K.H., Hosoguchi, K., Liu, Y., Fujitani, N., Ohta, T., Hinou, H., Matsushita, T., Shimizu, H., Feizi, T., Nishimura, S.
J. Am. Chem. Soc. (2010), 132, 14857-14865, PubMed 20883017 , DOI 10.1021/ja105216u , Abstract

Related entities 1. mouse NOTCH-1 EGF12, : 1 : 13 : 1843 entities Detail

Interaction partners 1. mouse NOTCH-1 EGF12, : 9 interactors Detail

Experiments performed 3 experiments Detail