BMRB Entry 30379
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30379
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Title: NMR structure of Sodium/Calcium Exchanger 1 (NCX1) Two-helix Bundle (THB) domain PubMed: 29898361
Deposition date: 2017-12-12 Original release date: 2018-06-18
Authors: Yuan, J.; Yuan, C.; Bruschweiler, R.
Citation: Yuan, J.; Yuan, C.; Xie, M.; Yu, L.; Bruschweiler-Li, L.; Bruschweiler, R.. "The Intracellular Loop of the Na+/Ca2+ Exchanger Contains a Novel Two-Helix Bundle Domain" Biochemistry 57, 5096-5104 (2018).
Assembly members:
entity_1, polymer, 57 residues, 6788.544 Da.
Natural source: Common Name: Dog Taxonomy ID: 9615 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Canis lupus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli K-12
Entity Sequences (FASTA):
entity_1: SNAVLEVDERDQDDEEARRE
MARILKELKQKHPEKEIEQL
IELANYQVLSQQQKSRA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 258 |
| 15N chemical shifts | 62 |
| 1H chemical shifts | 380 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 57 residues - 6788.544 Da.
| 1 | SER | ASN | ALA | VAL | LEU | GLU | VAL | ASP | GLU | ARG | ||||
| 2 | ASP | GLN | ASP | ASP | GLU | GLU | ALA | ARG | ARG | GLU | ||||
| 3 | MET | ALA | ARG | ILE | LEU | LYS | GLU | LEU | LYS | GLN | ||||
| 4 | LYS | HIS | PRO | GLU | LYS | GLU | ILE | GLU | GLN | LEU | ||||
| 5 | ILE | GLU | LEU | ALA | ASN | TYR | GLN | VAL | LEU | SER | ||||
| 6 | GLN | GLN | GLN | LYS | SER | ARG | ALA |
Samples:
sample_1: NCX1_THB, [U-15N], 300 uM; sodium chloride 100 mM; sodium phosphate 20 mM
sample_2: sodium chloride 100 mM; sodium phosphate 20 mM; NCX1 THB, [U-13C; U-15N], 300 uM
sample_3: sodium chloride 100 mM; sodium phosphate 20 mM; NCX1 THB, [U-13C; U-15N], 300 uM
sample_4: sodium chloride 100 mM; sodium phosphate 20 mM; NCX1 THB 300 uM
sample_5: sodium chloride 100 mM; sodium phosphate 20 mM; NCX1 THB, [U-10% 13C], 300 uM
sample_conditions_1: ionic strength: 120 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_3 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_2 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCACO | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_2 | isotropic | sample_conditions_1 |
| 3D HN(COCA)CB | sample_2 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_3 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_3 | isotropic | sample_conditions_1 |
| 3D H(CO)NH-TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 3D (H)CC(CO)NH-TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 2D aromatic TROSY-HSQC | sample_3 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_4 | isotropic | sample_conditions_1 |
| 3D HNHB | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_4 | isotropic | sample_conditions_1 |
| 2D 10%-13C CT-HSQC | sample_5 | isotropic | sample_conditions_1 |
| 3D 15N-edited NOESY | sample_2 | isotropic | sample_conditions_1 |
| 3D 15N-edited CNH-NOESY | sample_2 | isotropic | sample_conditions_1 |
| 3D 13C-edited NOESY | sample_3 | isotropic | sample_conditions_1 |
| 3D 13C-edited CCH-NOESY | sample_3 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis
SPARKY, Goddard - data analysis
NMRView, Johnson, One Moon Scientific - data analysis
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure calculation
NMR spectrometers:
- Bruker AvanceIII 850 MHz
- Bruker AvanceIII 700 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts