BMRB Entry 11006

Name: The Glycosylated EGF-Like Repeats 12 From Mouse NOTCH-1, NMR, Minimized Average Structure
Published: 2010-10-22

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PDB ID: 2rqz
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR11006
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

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

Deposition date:

2007-08-24

Original release date:

2010-10-22

Authors:

Hiruma-Shimizu, Kazumi; Shimizu, Hiroki; Nishimura, Shin-Ichiro

Citation:

Citation: Hiruma-Shimizu, Kazumi; Hosoguchi, Kensaku; Liu, Yan; Fujitani, Naoki; Ohta, Takashi; Hinou, Hiroshi; Matsushita, Takahiko; Shimizu, Hiroki; Feizi, Ten; Nishimura, Shin-Ichiro. "Chemical Synthesis, Folding, and Structural Insights into O-Fucosylated Epidermal Growth Factor-like Repeat 12 of Mouse Notch-1 Receptor" J. Am. Chem. Soc. 132, 14857-14865 (2010).
PubMed: 20883017

Assembly members:

Assembly members:
mouse_NOTCH-1_EGF12, polymer, 38 residues, 4211.66 Da.
disaccharide, polymer, 2 residues, Formula weight is not available

Natural source:

Natural source: Common Name: house mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
mouse_NOTCH-1_EGF12: DVNECISNPCQNDATCLDQI GEFQCICMPGYEGVYCEX
disaccharide: XX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	262

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	EGF12 peptide	1
2	NAG b1-3 FUC	2

Entities:

Entity 1, EGF12 peptide 38 residues - 4211.66 Da.

The carboxylgroup of C terminus I38 is amidated. -COONH2

1

ASP

VAL

ASN

GLU

CYS

ILE

SER

ASN

PRO

CYS

2

GLN

ASN

ASP

ALA

THR

CYS

LEU

ASP

GLN

ILE

3

GLY

GLU

PHE

GLN

CYS

ILE

CYS

MET

PRO

GLY

4

TYR

GLU

GLY

VAL

TYR

CYS

GLU

ILE_NH2

Entity 2, NAG b1-3 FUC 2 residues - Formula weight is not available

1

FUC

NAG

Samples:

sample_1: mouse NOTCH-1 EGF12 0.55 mM; NAG b1-3 FUC 0.55 mM

sample_conditions_1: ionic strength: 0 M; pH: 5.3; pressure: 1 atm; temperature: 300 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D DQF-COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1

Software:

NMRPipe v2.4, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY v3.110, Goddard - chemical shift assignment

NMR spectrometers:

Bruker Avance 600 MHz