BMRB Entry 11116
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11116
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Title: The solution structure of the second thioredoxin-like domain of human Protein disulfide-isomerase A6
Deposition date: 2010-03-31 Original release date: 2011-04-01
Authors: Tochio, N.; Koshiba, S.; Inoue, M.; Kigawa, T.; Yokoyama, S.
Citation: Tochio, N.; Koshiba, S.; Inoue, M.; Kigawa, T.; Yokoyama, S.. "The solution structure of the second thioredoxin-like domain of human Protein disulfide-isomerase A6" .
Assembly members:
Thioredoxin like domain, polymer, 133 residues, Formula weight is not available
Natural source: Common Name: human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: cell free synthesis Host organism: E. coli - cell free Vector: P040628-10
Entity Sequences (FASTA):
Thioredoxin like domain: GSSGSSGDVIELTDDSFDKN
VLDSEDVWMVEFYAPWCGHC
KNLEPEWAAAASEVKEQTKG
KVKLAAVDATVNQVLASRYG
IRGFPTIKIFQKGESPVDYD
GGRTRSDIVSRALDLFSDNA
PPPELLESGPSSG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 550 |
| 15N chemical shifts | 123 |
| 1H chemical shifts | 837 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Thioredoxin like domain | 1 |
Entities:
Entity 1, Thioredoxin like domain 133 residues - Formula weight is not available
| 1 | GLY | SER | SER | GLY | SER | SER | GLY | ASP | VAL | ILE | ||||
| 2 | GLU | LEU | THR | ASP | ASP | SER | PHE | ASP | LYS | ASN | ||||
| 3 | VAL | LEU | ASP | SER | GLU | ASP | VAL | TRP | MET | VAL | ||||
| 4 | GLU | PHE | TYR | ALA | PRO | TRP | CYS | GLY | HIS | CYS | ||||
| 5 | LYS | ASN | LEU | GLU | PRO | GLU | TRP | ALA | ALA | ALA | ||||
| 6 | ALA | SER | GLU | VAL | LYS | GLU | GLN | THR | LYS | GLY | ||||
| 7 | LYS | VAL | LYS | LEU | ALA | ALA | VAL | ASP | ALA | THR | ||||
| 8 | VAL | ASN | GLN | VAL | LEU | ALA | SER | ARG | TYR | GLY | ||||
| 9 | ILE | ARG | GLY | PHE | PRO | THR | ILE | LYS | ILE | PHE | ||||
| 10 | GLN | LYS | GLY | GLU | SER | PRO | VAL | ASP | TYR | ASP | ||||
| 11 | GLY | GLY | ARG | THR | ARG | SER | ASP | ILE | VAL | SER | ||||
| 12 | ARG | ALA | LEU | ASP | LEU | PHE | SER | ASP | ASN | ALA | ||||
| 13 | PRO | PRO | PRO | GLU | LEU | LEU | GLU | SER | GLY | PRO | ||||
| 14 | SER | SER | GLY |
Samples:
sample_1: thioredoxin like domain, [U-13C; U-15N], 1.1 mM; d-Tris HCl 20 mM; NaCl 100 mM; d-DTT 1 mM; NaN3 0.02%; H2O 90%; D2O 10%
condition_1: ionic strength: 120 mM; pH: 7.0; pressure: 1 atm; temperature: 296 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 15N-separated NOESY | sample_1 | isotropic | condition_1 |
| 3D 13C-separated NOESY | sample_1 | isotropic | condition_1 |
Software:
xwinnmr v2.6, Bruker - collection
NMRPipe v20031121, Delaglio, F. - processing
NMRView v5.0.4, Johnson, B.A. - data analysis
Kujira v0.9049, Kobayashi, N. - data analysis
CYANA v2.0.17, Guntert, P. - structure solution
NMR spectrometers:
- Bruker AVANCE 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts