BMRB Entry 25675
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25675
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Title: SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF TDP-43 PubMed: 26756435
Deposition date: 2015-06-26 Original release date: 2016-01-11
Authors: Mompean, Miguel; Romano, Valentina; Pantoja-Uceda, David; Stuani, Cristiana; Baralle, Francisco; Buratti, Emanuele; Laurents, Douglas
Citation: Mompean, Miguel; Romano, Valentina; Pantoja-Uceda, David; Stuani, Cristiana; Baralle, Francisco; Buratti, Emanuele; Laurents, Douglas. "The TDP-43 N-terminal domain structure at high resolution" FEBS J. 283, 1242-1260 (2016).
Assembly members:
entity, polymer, 89 residues, 9854.009 Da.
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: MAGSHHHHHHGSMSEYIRVT
EDENDEPIEIPSEDDGTVLL
STVTAQFPGACGLRYRNPVS
QCMRGVRLVEGILHAPDAGW
GNLVYVVNY
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 351 |
| 15N chemical shifts | 93 |
| 1H chemical shifts | 569 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 89 residues - 9854.009 Da.
| 1 | MET | ALA | GLY | SER | HIS | HIS | HIS | HIS | HIS | HIS | ||||
| 2 | GLY | SER | MET | SER | GLU | TYR | ILE | ARG | VAL | THR | ||||
| 3 | GLU | ASP | GLU | ASN | ASP | GLU | PRO | ILE | GLU | ILE | ||||
| 4 | PRO | SER | GLU | ASP | ASP | GLY | THR | VAL | LEU | LEU | ||||
| 5 | SER | THR | VAL | THR | ALA | GLN | PHE | PRO | GLY | ALA | ||||
| 6 | CYS | GLY | LEU | ARG | TYR | ARG | ASN | PRO | VAL | SER | ||||
| 7 | GLN | CYS | MET | ARG | GLY | VAL | ARG | LEU | VAL | GLU | ||||
| 8 | GLY | ILE | LEU | HIS | ALA | PRO | ASP | ALA | GLY | TRP | ||||
| 9 | GLY | ASN | LEU | VAL | TYR | VAL | VAL | ASN | TYR |
Samples:
sample_1: NTD, [U-13C; U-15N], 0.6 mM; TCEP mM; CD3COOD/CD3COO-Na+ mM; NaN3 mM; H20 90%; D20 10%
sample_conditions_1: pH: 3.8; 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 aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - structure solution
NMR spectrometers:
- Bruker Avance 800 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts