BMRB Entry 16581
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16581
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Title: 2J coupling constants in human Frataxin C-terminal domain (90-210) PubMed: 20131375
Deposition date: 2009-10-25 Original release date: 2010-02-08
Authors: Schmidt, Jurgen; Lohr, Frank
Citation: Schmidt, Jurgen; Hua, Yixun; Lohr, Frank. "Correlation of (2)J couplings with protein secondary structure." Proteins 78, 1544-1562 (2010).
Assembly members:
Frataxin, polymer, 121 residues, 13492.6 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: modified pET
Entity Sequences (FASTA):
Frataxin: MDETTYERLAEETLDSLAEF
FEDLADKPYTFEDYDVSFGS
GVLTVKLGGDLGTYVINKQT
PNKQIWLSSPSSGPKRYDWT
GKNWVYSHDGVSLHELLAAE
LTKALKTKLDLSSLAYSGKD
A
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | protein | 1 |
Entities:
Entity 1, protein 121 residues - 13492.6 Da.
| 1 | MET | ASP | GLU | THR | THR | TYR | GLU | ARG | LEU | ALA | ||||
| 2 | GLU | GLU | THR | LEU | ASP | SER | LEU | ALA | GLU | PHE | ||||
| 3 | PHE | GLU | ASP | LEU | ALA | ASP | LYS | PRO | TYR | THR | ||||
| 4 | PHE | GLU | ASP | TYR | ASP | VAL | SER | PHE | GLY | SER | ||||
| 5 | GLY | VAL | LEU | THR | VAL | LYS | LEU | GLY | GLY | ASP | ||||
| 6 | LEU | GLY | THR | TYR | VAL | ILE | ASN | LYS | GLN | THR | ||||
| 7 | PRO | ASN | LYS | GLN | ILE | TRP | LEU | SER | SER | PRO | ||||
| 8 | SER | SER | GLY | PRO | LYS | ARG | TYR | ASP | TRP | THR | ||||
| 9 | GLY | LYS | ASN | TRP | VAL | TYR | SER | HIS | ASP | GLY | ||||
| 10 | VAL | SER | LEU | HIS | GLU | LEU | LEU | ALA | ALA | GLU | ||||
| 11 | LEU | THR | LYS | ALA | LEU | LYS | THR | LYS | LEU | ASP | ||||
| 12 | LEU | SER | SER | LEU | ALA | TYR | SER | GLY | LYS | ASP | ||||
| 13 | ALA |
Samples:
sample_1: Frataxin, [U-95% 13C; U-95% 15N], 1.7 mM; TRIS 20 mM; sodium chloride 100 mM; D2O, [U-2H], 5%; H2O 95%
sample_conditions_1: pH: 8.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D IPAP-type HN(CO-a/b-NCa-J)-TROSY | sample_1 | isotropic | sample_conditions_1 |
Software:
xwinnmr, Bruker Biospin - collection, processing
jeval, JM Schmidt - coupling constant extraction, data analysis, multiplet simulation
NMR spectrometers:
- Bruker Avance 900 MHz