BMRB Entry 25172

Name: H, 13C and 15N assignments of EGF domains 4 to 7 of human Notch-1
Published: 2016-06-30

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR25172

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

H, 13C and 15N assignments of EGF domains 4 to 7 of human Notch-1

Deposition date:

2014-08-25

Original release date:

2016-06-30

Authors:

Handford, Penny; Redfield, Christina; Weisshuhn, Philip

Citation:

Citation: Weisshuhn, Philip; Sheppard, Devon; Taylor, Paul; Whiteman, Pat; Lea, Susan; Handford, Penny; Redfield, Christina. "Non-Linear and Flexible Regions of the Human Notch1 Extracellular Domain Revealed by High-Resolution Structural Studies" Structure 24, 555-566 (2016).
PubMed: 26996961

Assembly members:

Assembly members:
hN-1_4-7, polymer, 157 residues, Formula weight is not available
CALCIUM ION, non-polymer, 40.078 Da.

Natural source:

Natural source: Common Name: human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pQE-30

Entity Sequences (FASTA):

Entity Sequences (FASTA):
hN-1_4-7: SAQADPCASNPCANGGQCLP FEASYICHCPPSFHGPTCRQ DVNECGQKPGLCRHGGTCHN EVGSYRCVCRATHTGPNCER PYVPCSPSPCQNGGTCRPTG DVTHECACLPGFTGQNCEEN IDDCPGNNCKNGGACVDGVN TYNCRCPPEWTGQYCTE

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	489
15N chemical shifts	146
1H chemical shifts	752

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	hN-1 4-7	1
2	Ca2+, 1	2
3	Ca2+, 2	2

Entities:

Entity 1, hN-1 4-7 157 residues - Formula weight is not available

1

SER

ALA

GLN

ALA

ASP

PRO

CYS

ALA

SER

ASN

2

PRO

CYS

ALA

ASN

GLY

GLN

CYS

LEU

PRO

3

PHE

GLU

ALA

SER

TYR

ILE

CYS

HIS

CYS

PRO

4

PRO

SER

PHE

HIS

GLY

PRO

THR

CYS

ARG

GLN

5

ASP

VAL

ASN

GLU

CYS

GLY

GLN

LYS

PRO

GLY

6

LEU

CYS

ARG

HIS

GLY

THR

CYS

HIS

ASN

7

GLU

VAL

GLY

SER

TYR

ARG

CYS

VAL

CYS

ARG

8

ALA

THR

HIS

THR

GLY

PRO

ASN

CYS

GLU

ARG

9

PRO

TYR

VAL

PRO

CYS

SER

PRO

SER

PRO

CYS

10

GLN

ASN

GLY

THR

CYS

ARG

PRO

THR

GLY

11

ASP

VAL

THR

HIS

GLU

CYS

ALA

CYS

LEU

PRO

12

GLY

PHE

THR

GLY

GLN

ASN

CYS

GLU

ASN

13

ILE

ASP

CYS

PRO

GLY

ASN

CYS

LYS

14

ASN

GLY

ALA

CYS

VAL

ASP

GLY

VAL

ASN

15

THR

TYR

ASN

CYS

ARG

CYS

PRO

GLU

TRP

16

THR

GLY

GLN

TYR

CYS

THR

GLU

Entity 2, Ca2+, 1 - Ca - 40.078 Da.

1

CA

Samples:

4-7_D20: hN-1 4-7, [U-99% 15N], 0.4 ± 0.1 mM; sodium chloride 0.15 ± 1 M; H2O 95%; D2O 5%

4-7_15N: hN-1 4-7, [U-99% 13C; U-99% 15N], 1 ± 0.05 mM; Calcium chloride 30 ± 1 mM; H2O 95%; D2O 5%

4-7_15N-13C: hN-1 4-7, [U-99% 13C; U-99% 15N], 0.4 ± 0.1 mM; Calcium chloride 30 ± 1 mM; H2O 95%; D2O 5%

4-5_15N: hN-1 4-5, [U-99% 15N], 1 ± 0.1 mM; Calcium chloride 30 ± 1 mM; H2O 95%; D2O 5%

5-7_15N: hN-1 5-7, [U-99% 15N], 3.2 ± 0.1 mM; Calcium chloride 80 ± 5 mM; H2O 95%; D2O 5%

5-7_15N-13C: hN-1 5-7, [U-99% 13C; U-99% 15N], 2 ± 0.05 mM; Calcium chloride 80 ± 1 mM; H2O 95%; D2O 5%

4-6_15N: hN-1 4-6, [U-99% 13C; U-99% 15N], 1.6 ± 0.05 mM; Calcium chloride 30 mM; H2O 95%; D2O 5%

4-6_15N-13C: hN-1 4-6, [U-99% 13C; U-99% 15N], 1 ± 0.05 mM; Calcium chloride 30 ± 0.1 mM; H2O 95%; D2O 5%

1D_1H: ionic strength: 150 mM; pH: 7.5; pressure: 1 atm; temperature: 273 K

30_mM_Ca2+: ionic strength: 120 mM; pH: 6.1; pressure: 1 atm; temperature: 273 K

80_mM_Ca2+: ionic strength: 320 mM; pH: 6.1; pressure: 1 atm; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
1D 1H	4-7_D20	isotropic	1D_1H
3D 1H-15N NOESY	4-7_15N	isotropic	30_mM_Ca2+
3D 1H-15N TOCSY	4-7_15N	isotropic	30_mM_Ca2+
3D 1H-15N NOESY	4-5_15N	isotropic	30_mM_Ca2+
3D 1H-15N TOCSY	4-5_15N	isotropic	30_mM_Ca2+
3D 1H-15N NOESY	5-7_15N	isotropic	80_mM_Ca2+
3D 1H-15N TOCSY	5-7_15N	isotropic	80_mM_Ca2+
3D 1H-15N NOESY	4-6_15N	isotropic	30_mM_Ca2+
3D 1H-15N TOCSY	4-6_15N	isotropic	30_mM_Ca2+
2D 1H-15N HSQC	4-7_15N-13C	isotropic	30_mM_Ca2+
2D 1H-15N HSQC	5-7_15N-13C	isotropic	80_mM_Ca2+
2D 1H-15N HSQC	4-5_15N	isotropic	30_mM_Ca2+
2D 1H-15N HSQC	5-7_15N	isotropic	30_mM_Ca2+
2D 1H-15N HSQC	4-6_15N-13C	isotropic	30_mM_Ca2+
3D HBHA(CO)NH	5-7_15N-13C	isotropic	80_mM_Ca2+
3D HBHA(CO)NH	4-6_15N-13C	isotropic	30_mM_Ca2+
3D HNCA	5-7_15N-13C	isotropic	80_mM_Ca2+
3D HNCA	4-6_15N-13C	isotropic	30_mM_Ca2+
3D HNCA	4-7_15N-13C	isotropic	30_mM_Ca2+
3D CBCA(CO)NH	5-7_15N-13C	isotropic	80_mM_Ca2+
3D CBCA(CO)NH	4-6_15N-13C	isotropic	30_mM_Ca2+
3D CBCA(CO)NH	4-7_15N-13C	isotropic	30_mM_Ca2+
3D HNCO	4-7_15N-13C	isotropic	30_mM_Ca2+
3D HNCO	5-7_15N-13C	isotropic	80_mM_Ca2+
2D 1H-1H NOESY	4-7_D20	isotropic	1D_1H
2D 1H-15N HSQC	4-7_15N	isotropic	30_mM_Ca2+
3D HN(CO)CA	5-7_15N-13C	isotropic	80_mM_Ca2+
3D HN(CO)CA	4-7_15N-13C	isotropic	30_mM_Ca2+
3D HCCH-TOCSY	5-7_15N-13C	isotropic	80_mM_Ca2+
3D HCCH-TOCSY	4-6_15N-13C	isotropic	30_mM_Ca2+
3D 1H-13C NOESY	4-6_15N-13C	isotropic	30_mM_Ca2+
3D 1H-13C NOESY	5-7_15N-13C	isotropic	80_mM_Ca2+
2D 1H-13C HSQC	4-6_15N-13C	isotropic	30_mM_Ca2+
2D 1H-13C HSQC	5-7_15N-13C	isotropic	80_mM_Ca2+
2D 1H-13C HSQC	4-7_15N-13C	isotropic	30_mM_Ca2+

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

CCPN_Analysis, CCPN - chemical shift assignment

NMR spectrometers:

Bruker Avance 500 MHz
Home-built OMEGA 500 MHz
Home-built OMEGA 600 MHz
Home-built OMEGA 750 MHz
Home-built OMEGA 950 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks