BMRB Entry 17944
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17944
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Title: 13C, 15N Chemical shifts of the C-terminal fragment of E. coli thioredoxin reassembly using solid-state NMR spectroscopy PubMed: 15600367
Deposition date: 2011-09-15 Original release date: 2011-10-28
Authors: Marulanda, Dabeiba; Tasayco, Maria; McDermott, Ann; Cataldi, Marcela; Arriaran, Vilma; Polenova, Tatyana
Citation: Marulanda, Dabeiba; Tasayco, Maria; McDermott, Ann; Cataldi, M.; Arriaran, V.; Polenova, Tatyana. "Magic angle spinning solid-state NMR spectroscopy for structural studies of protein interfaces. resonance assignments of differentially enriched Escherichia coli thioredoxin reassembled by fragment complementation." J. Am. Chem. Soc. 126, 16608-16620 (2004).
Assembly members:
C-terminal_of_Trx_reassembly, polymer, 35 residues, Formula weight is not available
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):
C-terminal_of_Trx_reassembly: GIPTLLLFKNGEVAATKVGA
LSKGQLKEFLDANLA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 152 |
| 15N chemical shifts | 34 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | C-terminal fragment | 1 |
Entities:
Entity 1, C-terminal fragment 35 residues - Formula weight is not available
| 1 | GLY | ILE | PRO | THR | LEU | LEU | LEU | PHE | LYS | ASN | ||||
| 2 | GLY | GLU | VAL | ALA | ALA | THR | LYS | VAL | GLY | ALA | ||||
| 3 | LEU | SER | LYS | GLY | GLN | LEU | LYS | GLU | PHE | LEU | ||||
| 4 | ASP | ALA | ASN | LEU | ALA |
Samples:
sample_1: C-terminal of Trx reassembly, [U-100% 13C; U-100% 15N], PEG precipitate mg
sample_conditions_1: ionic strength: 10 mM; pH: 3.5; pressure: 1 atm; temperature: 273 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 13C-13C DARR | sample_1 | solid | sample_conditions_1 |
| 2D 15N-13C NCA | sample_1 | solid | sample_conditions_1 |
| 2D 15N-13C NCO | sample_1 | solid | sample_conditions_1 |
| 2D 15N-13C NCACX | sample_1 | solid | sample_conditions_1 |
| 2D 15N-13C NCOCX | sample_1 | solid | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax, Goddard - chemical shift assignment, processing
NMR spectrometers:
- Bruker Avance 750 MHz
Related Database Links:
| BMRB | 17700 1812 1813 |
| PDB | |
| DBJ | BAA00903 BAB38137 BAE77517 BAG79587 BAH61053 |
| EMBL | CAA79851 CAD09400 CAG77109 CAO95241 CAP78228 |
| GB | AAA24533 AAA24534 AAA24693 AAA24694 AAA24696 |
| PIR | AF0922 B91218 C86064 |
| REF | NP_312741 NP_418228 NP_457831 NP_462806 NP_709584 |
| SP | P0AA25 P0AA26 P0AA27 P0AA28 P0AA29 |