Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR25172
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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:
hN-1_4-7, polymer, 157 residues, Formula weight is not available
CALCIUM ION, non-polymer, 40.078 Da.
Natural source: Common Name: human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pQE-30
Data type | Count |
13C chemical shifts | 489 |
15N chemical shifts | 146 |
1H chemical shifts | 752 |
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | hN-1 4-7 | 1 |
2 | Ca2+, 1 | 2 |
3 | Ca2+, 2 | 2 |
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 | 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 | 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 | 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 | GLU | ASN | ||||
13 | ILE | ASP | ASP | CYS | PRO | GLY | ASN | ASN | CYS | LYS | ||||
14 | ASN | GLY | GLY | ALA | CYS | VAL | ASP | GLY | VAL | ASN | ||||
15 | THR | TYR | ASN | CYS | ARG | CYS | PRO | PRO | GLU | TRP | ||||
16 | THR | GLY | GLN | TYR | CYS | THR | GLU |
Entity 2, Ca2+, 1 - Ca - 40.078 Da.
1 | CA |
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
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+ |
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
CCPN_Analysis, CCPN - chemical shift assignment
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks