BMRB Entry 16147
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16147
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Title: NMR assignments of oxidised thioredoxin from Plasmodium falciparum PubMed: 19888680
Deposition date: 2009-01-29 Original release date: 2009-05-13
Authors: Munte, Claudia; Katja, Becker; Rolf, Schirmer; Hans, Kalbitzer
Citation: Munte, Claudia Elisabeth; Becker, Katja; Schirmer, Rolf Heiner; Kalbitzer, Hans Robert. "NMR assignments of oxidised thioredoxin from Plasmodium falciparum." Biomol. NMR Assignments 3, 159-161 (2009).
Assembly members:
Trx, polymer, 115 residues, Formula weight is not available
Natural source: Common Name: malaria parasite P. falciparum Taxonomy ID: 5833 Superkingdom: Eukaryota Kingdom: not available Genus/species: Plasmodium falciparum
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Trx: MRGSHHHHHHGSVKIVTSQS
EFDSIISQNELVIVDFFAEW
CGPCKRIAPFYEECSKTYTK
MVFIKVDVDEVSEVTEKENI
TSMPTFKVYKNGSSVDTLLG
ANDSALKQLIEKYAA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 423 |
| 15N chemical shifts | 101 |
| 1H chemical shifts | 757 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Trx | 1 |
Entities:
Entity 1, Trx 115 residues - Formula weight is not available
| 1 | MET | ARG | GLY | SER | HIS | HIS | HIS | HIS | HIS | HIS | ||||
| 2 | GLY | SER | VAL | LYS | ILE | VAL | THR | SER | GLN | SER | ||||
| 3 | GLU | PHE | ASP | SER | ILE | ILE | SER | GLN | ASN | GLU | ||||
| 4 | LEU | VAL | ILE | VAL | ASP | PHE | PHE | ALA | GLU | TRP | ||||
| 5 | CYS | GLY | PRO | CYS | LYS | ARG | ILE | ALA | PRO | PHE | ||||
| 6 | TYR | GLU | GLU | CYS | SER | LYS | THR | TYR | THR | LYS | ||||
| 7 | MET | VAL | PHE | ILE | LYS | VAL | ASP | VAL | ASP | GLU | ||||
| 8 | VAL | SER | GLU | VAL | THR | GLU | LYS | GLU | ASN | ILE | ||||
| 9 | THR | SER | MET | PRO | THR | PHE | LYS | VAL | TYR | LYS | ||||
| 10 | ASN | GLY | SER | SER | VAL | ASP | THR | LEU | LEU | GLY | ||||
| 11 | ALA | ASN | ASP | SER | ALA | LEU | LYS | GLN | LEU | ILE | ||||
| 12 | GLU | LYS | TYR | ALA | ALA |
Samples:
sample_1: Trx, [U-100% 13C; U-100% 15N], 1 mM; potassium phosphate 10 mM; DSS 0.1 mM; sodium azide 1 mM
sample_2: Trx, [U-100% 13C; U-100% 15N], 1 mM; potassium phosphate 10 mM; DSS 0.1 mM; sodium azide 1 mM; D2O 8%
sample_3: Trx 1 mM; potassium phosphate 10 mM; DSS 0.1 mM; sodium azide 1 mM; D2O 8%
sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_3 | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - processing
AUREMOL, Bruker Biospin - chemical shift assignment
NMR spectrometers:
- Bruker DRX 600 MHz
- Bruker DRX 800 MHz
Related Database Links:
| PDB | |
| EMBL | CAB90828 CDO67036 |
| GB | AAF34541 AAN37158 ETW15871 ETW28975 ETW33689 |
| REF | XP_001348719 XP_012765615 |
| SP | Q7KQL8 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts