BMRB Entry 5308
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5308
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Title: Solution Structure and Dynamics of the Human-Escherichia coli Thioredoxin Chimera: Insights into Thermodynamic Stability PubMed: 12135359
Deposition date: 2002-03-02 Original release date: 2002-09-11
Authors: Dangi, Bindi; Dubrodumov, Anatoliy; Louis, John; Gronenborn, Angela
Citation: Dangi, Bindi; Dubrodumov, Anatoliy; Louis, John; Gronenborn, Angela. "Solution Structure and Dynamics of the Human-Escherichia coli Thioredoxin Chimera: Insights into Thermodynamic Stability" Biochemistry 41, 9376-9388 (2002).
Assembly members:
thioredoxin, polymer, 107 residues, Formula weight is not available
Natural source: Common Name: Escherichia coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
thioredoxin: MVKQIESKTAFQEALDAAGD
KLVVVDFSATWCGPCKMIKP
FFHSLSEKYSNVIFLEVDVD
DAQDVAPKYGIRGIPTLLLF
KNGEVAATKVGALSKGQLKE
FLDANLV
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 455 |
| 15N chemical shifts | 108 |
| 1H chemical shifts | 678 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | trx-he | 1 |
Entities:
Entity 1, trx-he 107 residues - Formula weight is not available
| 1 | MET | VAL | LYS | GLN | ILE | GLU | SER | LYS | THR | ALA | ||||
| 2 | PHE | GLN | GLU | ALA | LEU | ASP | ALA | ALA | GLY | ASP | ||||
| 3 | LYS | LEU | VAL | VAL | VAL | ASP | PHE | SER | ALA | THR | ||||
| 4 | TRP | CYS | GLY | PRO | CYS | LYS | MET | ILE | LYS | PRO | ||||
| 5 | PHE | PHE | HIS | SER | LEU | SER | GLU | LYS | TYR | SER | ||||
| 6 | ASN | VAL | ILE | PHE | LEU | GLU | VAL | ASP | VAL | ASP | ||||
| 7 | ASP | ALA | GLN | ASP | VAL | ALA | PRO | LYS | TYR | GLY | ||||
| 8 | ILE | ARG | GLY | ILE | PRO | THR | LEU | LEU | LEU | PHE | ||||
| 9 | LYS | ASN | GLY | GLU | VAL | ALA | ALA | THR | LYS | VAL | ||||
| 10 | GLY | ALA | LEU | SER | LYS | GLY | GLN | LEU | LYS | GLU | ||||
| 11 | PHE | LEU | ASP | ALA | ASN | LEU | VAL |
Samples:
sample_1: thioredoxin, [U-95% 13C; U-95% 15N], 1 – 2 mM
condition_1: pH: 7.0; temperature: 308 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 15N HSQC | not available | not available | not available |
| 15N TOCSY-HSQC | not available | not available | not available |
| 15N NOESY-HSQC | not available | not available | not available |
| HNCACB | not available | not available | not available |
| C(CO)NH | not available | not available | not available |
| H(CCO)NH | not available | not available | not available |
| 4D 13C NOESY | not available | not available | not available |
Software:
NMRPipe - processing
NMR spectrometers:
- BRUKER DMX 600 MHz
- BRUKER DMX 500 MHz
- BRUKER DRX 800 MHz
- BRUKER DMX 750 MHz
Related Database Links:
| PDB |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts