BMRB Entry 17277
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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/BMR17277
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Title: Solution Structure of a Putative Thioredoxin from Neisseria meningitidis
Deposition date: 2010-11-03 Original release date: 2010-11-15
Authors: Harris, R.; Foti, R.; Seidel, R.; Bonanno, J.; Freeman, J.; Bain, K.; Sauder, J.; Burley, S.; Girvin, M.; Almo, S.
Citation: Harris, R.; Foti, R.; Seidel, R.; Bonanno, J.; Freeman, J.; Bain, K.; Sauder, J.; Burley, S.; Girvin, M.; Almo, S.. "Solution Structure of a Putative Thioredoxin from Neisseria meningitidis" To be published ., .-..
Assembly members:
putative_thioredoxin, polymer, 153 residues, 17046.438 Da.
Natural source: Common Name: Neisseria meningitidis Taxonomy ID: 487 Superkingdom: Bacteria Kingdom: not available Genus/species: Neisseria meningitidis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
putative_thioredoxin: MSLDSKTAPAFSLPDLHGKT
VSNADLQGKVTLINFWFPSC
PGCVSEMPKIIKTANDYKNK
NFQVLAVAQPIDPIESVRQY
VKDYGLPFTVMYDADKAVGQ
AFGTQVYPTSVLIGKKGEIL
KTYVGEPDFGKLYQEIDTAW
RNSDAEGHHHHHH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 650 |
| 15N chemical shifts | 149 |
| 1H chemical shifts | 1021 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | putative thioredoxin | 1 |
Entities:
Entity 1, putative thioredoxin 153 residues - 17046.438 Da.
MSL are extra residues at the N-terminal from cloning and have not been included in the assignments
| 1 | MET | SER | LEU | ASP | SER | LYS | THR | ALA | PRO | ALA | ||||
| 2 | PHE | SER | LEU | PRO | ASP | LEU | HIS | GLY | LYS | THR | ||||
| 3 | VAL | SER | ASN | ALA | ASP | LEU | GLN | GLY | LYS | VAL | ||||
| 4 | THR | LEU | ILE | ASN | PHE | TRP | PHE | PRO | SER | CYS | ||||
| 5 | PRO | GLY | CYS | VAL | SER | GLU | MET | PRO | LYS | ILE | ||||
| 6 | ILE | LYS | THR | ALA | ASN | ASP | TYR | LYS | ASN | LYS | ||||
| 7 | ASN | PHE | GLN | VAL | LEU | ALA | VAL | ALA | GLN | PRO | ||||
| 8 | ILE | ASP | PRO | ILE | GLU | SER | VAL | ARG | GLN | TYR | ||||
| 9 | VAL | LYS | ASP | TYR | GLY | LEU | PRO | PHE | THR | VAL | ||||
| 10 | MET | TYR | ASP | ALA | ASP | LYS | ALA | VAL | GLY | GLN | ||||
| 11 | ALA | PHE | GLY | THR | GLN | VAL | TYR | PRO | THR | SER | ||||
| 12 | VAL | LEU | ILE | GLY | LYS | LYS | GLY | GLU | ILE | LEU | ||||
| 13 | LYS | THR | TYR | VAL | GLY | GLU | PRO | ASP | PHE | GLY | ||||
| 14 | LYS | LEU | TYR | GLN | GLU | ILE | ASP | THR | ALA | TRP | ||||
| 15 | ARG | ASN | SER | ASP | ALA | GLU | GLY | HIS | HIS | HIS | ||||
| 16 | HIS | HIS | HIS |
Samples:
sample_1: putative thioredoxin, [U-100% 13C; U-100% 15N], 1 mM; sodium phosphate 20 mM; sodium chloride 100 mM; DTT 1 mM; H20 90%; D20 10%
sample_2: putative thioredoxin 1 mM; sodium phosphate 20 mM; sodium chloride 100 mM; DTT 1 mM; D20 100%
sample_conditions_1: ionic strength: 100 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 15N NOESY-HSQC | sample_1 | isotropic | sample_conditions_1 |
| 13C HSQC | sample_2 | isotropic | sample_conditions_1 |
| aromatic 13C HSQC | sample_2 | isotropic | sample_conditions_1 |
| 13C NOESY-HSQC | sample_2 | isotropic | sample_conditions_1 |
| 13C aromatic NOESY-HSQC | sample_2 | isotropic | sample_conditions_1 |
| HNCO | sample_1 | isotropic | sample_conditions_1 |
| HNCACO | sample_1 | isotropic | sample_conditions_1 |
| HNCA | sample_1 | isotropic | sample_conditions_1 |
| HNCOCA | sample_1 | isotropic | sample_conditions_1 |
| HNCACB | sample_1 | isotropic | sample_conditions_1 |
| CBCACONH | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS v1.21, Brunger A. T. et.al. - refinement
CCPN_Analysis v2.1.2, CCPN - data analysis
NMR spectrometers:
- Varian Inova 600 MHz
- Bruker DRX 600 MHz
- Bruker Avance 500 MHz
Related Database Links:
| PDB | |
| EMBL | CAM07772 CAM11090 CAX50914 CBA03707 CBA07256 |
| GB | AAF42287 AAW90722 ABX72465 ACF31196 ADO32377 |
| REF | NP_274952 WP_002214835 WP_002218071 WP_002235231 WP_002239346 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts