BMRB Entry 15797
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR15797
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Title: Solution structure of Tpx in the reduced state PubMed: 19636900
Deposition date: 2008-06-07 Original release date: 2008-07-29
Authors: Jin, Changwen; Lu, Jie; Yang, Fan
Citation: Lu, Jie; Yang, Fan; Li, You; Xia, Bin; Jin, Changwen. "Reversible conformational switch revealed by the redox structures of Bacillus subtilis thiol peroxidase" Biomol. NMR Assignments 2, 183-186 (2008).
Assembly members:
Tpx monomer, polymer, 167 residues, 18241.838 Da.
Natural source: Common Name: Bacillus subtilis Taxonomy ID: 1423 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacillus subtilis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Tpx monomer: MAEITFKGGPVTLVGQEVKV
GDQAPDFTVLTNSLEEKSLA
DMKGKVTIISVIPSIDTGVC
DAQTRRFNEEAAKLGDVNVY
TISADLPFAQARWCGANGID
KVETLSDHRDMSFGEAFGVY
IKELRLLARSVFVLDENGKV
VYAEYVSEATNHPNYEKPIE
AAKALVK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 654 |
| 15N chemical shifts | 157 |
| 1H chemical shifts | 1072 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Tpx monomer | 1 |
Entities:
Entity 1, Tpx monomer 167 residues - 18241.838 Da.
| 1 | MET | ALA | GLU | ILE | THR | PHE | LYS | GLY | GLY | PRO | ||||
| 2 | VAL | THR | LEU | VAL | GLY | GLN | GLU | VAL | LYS | VAL | ||||
| 3 | GLY | ASP | GLN | ALA | PRO | ASP | PHE | THR | VAL | LEU | ||||
| 4 | THR | ASN | SER | LEU | GLU | GLU | LYS | SER | LEU | ALA | ||||
| 5 | ASP | MET | LYS | GLY | LYS | VAL | THR | ILE | ILE | SER | ||||
| 6 | VAL | ILE | PRO | SER | ILE | ASP | THR | GLY | VAL | CYS | ||||
| 7 | ASP | ALA | GLN | THR | ARG | ARG | PHE | ASN | GLU | GLU | ||||
| 8 | ALA | ALA | LYS | LEU | GLY | ASP | VAL | ASN | VAL | TYR | ||||
| 9 | THR | ILE | SER | ALA | ASP | LEU | PRO | PHE | ALA | GLN | ||||
| 10 | ALA | ARG | TRP | CYS | GLY | ALA | ASN | GLY | ILE | ASP | ||||
| 11 | LYS | VAL | GLU | THR | LEU | SER | ASP | HIS | ARG | ASP | ||||
| 12 | MET | SER | PHE | GLY | GLU | ALA | PHE | GLY | VAL | TYR | ||||
| 13 | ILE | LYS | GLU | LEU | ARG | LEU | LEU | ALA | ARG | SER | ||||
| 14 | VAL | PHE | VAL | LEU | ASP | GLU | ASN | GLY | LYS | VAL | ||||
| 15 | VAL | TYR | ALA | GLU | TYR | VAL | SER | GLU | ALA | THR | ||||
| 16 | ASN | HIS | PRO | ASN | TYR | GLU | LYS | PRO | ILE | GLU | ||||
| 17 | ALA | ALA | LYS | ALA | LEU | VAL | LYS |
Samples:
sample_1: Tpx 1 mM; sodium phosphate 20 mM; DTT 20 mM
sample_conditions_1: ionic strength: 20 mM; pH: 7.0; pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
xwinnmr, Bruker Biospin - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRView, Johnson, One Moon Scientific - data analysis
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Koll - refinement
NMR spectrometers:
- Bruker Avance 800 MHz
- Bruker Avance 500 MHz
Related Database Links:
| BMRB | 15798 |
| PDB | |
| DBJ | BAI86453 BAM54200 BAM59029 GAK82014 |
| EMBL | CAB14927 CCU59457 CEI58181 CEJ78603 CJR44398 |
| GB | AAC00316 ADM38894 ADV93745 AEP87796 AEP91943 |
| REF | NP_390827 WP_003223506 WP_010335298 WP_015714515 WP_019259177 |
| SP | P80864 |
Download simulated HSQC data in one of the following formats:
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SPARKY: Backbone
or all simulated shifts