BMRB Entry 25451
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25451
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Title: Solution structure of the dithiolic glutaredoxin 2-C-Grx1 from the pathogen Trypanosoma brucei brucei PubMed: 26386962
Deposition date: 2015-01-22 Original release date: 2015-10-23
Authors: Sturlese, Mattia; Stefani, Monica; Manta, Bruno; Mammi, Stefano; Comini, Marcelo; Bellanda, Massimo
Citation: Stefani, Monica; Sturlese, Mattia; Manta, Bruno; Mammi, Stefano; Comini, Marcelo; Bellanda, Massimo; Stefani, Monica; Sturlese, Mattia; Manta, Bruno; Mammi, Stefano; Comini, Marcelo; Bellanda, Massimo. "1H, 13C and 15N resonance assignment of the cytosolic dithiol glutaredoxin 1 from the pathogen Trypanosoma brucei" Biomol. NMR Assignments 10, 85-88 (2016).
Assembly members:
entity, polymer, 97 residues, 10718.449 Da.
Natural source: Common Name: Sleeping sickness Taxonomy ID: 5691 Superkingdom: Eukaryota Kingdom: not available Genus/species: Trypanosoma brucei
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: GAMPSIASMIKGNKVVVFSW
VTCPYCVRAEKLLHARTKDI
TVHYVDKMSEGEQLRGEIYQ
AYKHETVPAIFINGNFIGGC
SDLEALDKEGKLDGLLS
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 404 |
15N chemical shifts | 92 |
1H chemical shifts | 642 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | entity | 1 |
Entities:
Entity 1, entity 97 residues - 10718.449 Da.
1 | GLY | ALA | MET | PRO | SER | ILE | ALA | SER | MET | ILE | ||||
2 | LYS | GLY | ASN | LYS | VAL | VAL | VAL | PHE | SER | TRP | ||||
3 | VAL | THR | CYS | PRO | TYR | CYS | VAL | ARG | ALA | GLU | ||||
4 | LYS | LEU | LEU | HIS | ALA | ARG | THR | LYS | ASP | ILE | ||||
5 | THR | VAL | HIS | TYR | VAL | ASP | LYS | MET | SER | GLU | ||||
6 | GLY | GLU | GLN | LEU | ARG | GLY | GLU | ILE | TYR | GLN | ||||
7 | ALA | TYR | LYS | HIS | GLU | THR | VAL | PRO | ALA | ILE | ||||
8 | PHE | ILE | ASN | GLY | ASN | PHE | ILE | GLY | GLY | CYS | ||||
9 | SER | ASP | LEU | GLU | ALA | LEU | ASP | LYS | GLU | GLY | ||||
10 | LYS | LEU | ASP | GLY | LEU | LEU | SER |
Samples:
sample_1: sodium phosphate 50 mM; sodium chloride 150 mM; DTT 10 mM; EDTA 1 mM; sodium azide 0.05%; PMSF 0.2 mM; Tb 2-C-Grx1, [U-13C; U-15N], 1 mM; D2O 95%; H2O 5%
sample_conditions_1: pH: 7.2; pressure: 1 atm; temperature: 298 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
3D HNCO | sample_1 | isotropic | sample_conditions_1 |
3DHN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
3D H(C)CH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
3D (H)C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
2D (H)CB(CGCC)H-TOCSY (PHE-OPTIMIZED) | sample_1 | isotropic | sample_conditions_1 |
2D (H)CB(CGCC)H-TOCSY (TYR-OPTIMIZED) | sample_1 | isotropic | sample_conditions_1 |
2D (H)CB(CGCC)H-TOCSY (HIS-OPTIMIZED) | sample_1 | isotropic | sample_conditions_1 |
3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - collection
CARA, Keller and Wuthrich - chemical shift assignment
UNIO'10, Torsten Herrmann - NOESY assignment, peak picking
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement
X-PLOR_NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement
NMR spectrometers:
- Bruker Avance 900 MHz
- Bruker Avance 800 MHz
- Bruker Avance 500 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts