BMRB Entry 5241
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR5241
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Title: 1H and 15N assignment and secondary structure of the double K18G/R82E mutant of Alicyclobacillus acidocaldarius thermostable thioredoxin PubMed: 15147188
Deposition date: 2001-12-20 Original release date: 2004-09-10
Authors: Leone, Marilisa; Di Lello, Paola; Pedone, Emilia; Bartolucci, Simonetta; Rossi, Mose'; Di Blasio, Benedetto; Pedone, Carlo; Saviano, Michele; Isernia, Carla; Fattorusso, Roberto
Citation: Leone, Marilisa; Di Lello, Paola; Ohlenschlager, O.; Pedone, Emilia; Bartolucci, Simonetta; Rossi, Mose'; Di Blasio, Benedetto; Pedone, Carlo; Saviano, Michele; Isernia, Carla; Fattorusso, Roberto. "Solution structure and backbone dynamics of the K18G/R82E Alicyclobacillus acidocaldarius thioredoxin mutant: a molecular analysis of its reduced thermal stability." Biochemistry 43, 6043-6058 (2004).
Assembly members:
Alicyclobacillus acidocaldarius thioredoxin, polymer, 105 residues, 11475.0 Da.
Natural source: Common Name: Alicyclobacillus acidocaldarius (Bacillus acidocaldarius) Taxonomy ID: 1388 Superkingdom: Eubacteria Kingdom: not available Genus/species: Alicyclobacillus acidocaldarius
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Alicyclobacillus acidocaldarius thioredoxin: ATMTLTDANFQQAIQGDGPV
LVDFWAAWCGPCRMMAPVLE
EFAEAHADKVTVAKLNVDEN
PETTSQFGIMSIPTLILFKG
GEPVKQLIGYQPKEQLEAQL
ADVLQ
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 756 |
| 15N chemical shifts | 111 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | BacTrx mut | 1 |
Entities:
Entity 1, BacTrx mut 105 residues - 11475.0 Da.
| 1 | ALA | THR | MET | THR | LEU | THR | ASP | ALA | ASN | PHE | ||||
| 2 | GLN | GLN | ALA | ILE | GLN | GLY | ASP | GLY | PRO | VAL | ||||
| 3 | LEU | VAL | ASP | PHE | TRP | ALA | ALA | TRP | CYS | GLY | ||||
| 4 | PRO | CYS | ARG | MET | MET | ALA | PRO | VAL | LEU | GLU | ||||
| 5 | GLU | PHE | ALA | GLU | ALA | HIS | ALA | ASP | LYS | VAL | ||||
| 6 | THR | VAL | ALA | LYS | LEU | ASN | VAL | ASP | GLU | ASN | ||||
| 7 | PRO | GLU | THR | THR | SER | GLN | PHE | GLY | ILE | MET | ||||
| 8 | SER | ILE | PRO | THR | LEU | ILE | LEU | PHE | LYS | GLY | ||||
| 9 | GLY | GLU | PRO | VAL | LYS | GLN | LEU | ILE | GLY | TYR | ||||
| 10 | GLN | PRO | LYS | GLU | GLN | LEU | GLU | ALA | GLN | LEU | ||||
| 11 | ALA | ASP | VAL | LEU | GLN |
Samples:
sample_1: Alicyclobacillus acidocaldarius thioredoxin, [U-15N], 1.0 mM
condition_BacTrx: pH: 6.0 na; temperature: 298.0 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H DQCOSY | not available | not available | not available |
| 2D 1H-1H NOESY | not available | not available | not available |
| 2D 1H-1H TOCSY | not available | not available | not available |
| 2D 1H-15N HSQC | not available | not available | not available |
| 3D 1H-1H-15N NOESY | not available | not available | not available |
| 3D 1H-1H-15N TOCSY | not available | not available | not available |
| 3D HNHA | not available | not available | not available |
| 3D HNHB | not available | not available | not available |
Software:
Vnmr v6.1B - spectra processing
PROSA - spectra processing
xeasy v1.3.13 - data analysis
NMR spectrometers:
- Varian INOVA 750 MHz
- Varian UNITY_INOVA 600 MHz
Related Database Links:
| BMRB | 4446 5240 |
| PDB | |
| GB | ACV57898 AEJ42820 |
| REF | WP_012810252 WP_014463721 YP_003184287 YP_005517339 |
| SP | P80579 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts