BMRB Entry 26513
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR26513
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Title: The Apo-structure of the Low Molecular Weight Protein-tyrosine Phosphatase A (MptpA) from Mycobacterium tuberculosis Allows for Better Target-specific Drug Development PubMed: 22888002
Deposition date: 2015-02-17 Original release date: 2015-02-24
Authors: Stehle, Tanja; Sreeramulu, Sridhar; Lohr, Frank; Richter, Christian; Saxena, Krishna; Jonker, Hendrik; Schwalbe, Harald
Citation: Stehle, Tanja; Sreeramulu, Sridhar; Lohr, Frank; Richter, Christian; Saxena, Krishna; Jonker, Hendrik; Schwalbe, Harald. "The Apo-structure of the Low Molecular Weight Protein-tyrosine Phosphatase A (MptpA) from Mycobacterium tuberculosis Allows for Better Target-specific Drug Development" J. Biol. Chem. 287, 34569-34582 (2012).
Assembly members:
MptpA, polymer, 167 residues, Formula weight is not available
Natural source: Common Name: Mycobacterium tuberculosis Taxonomy ID: 1773 Superkingdom: Bacteria Kingdom: not available Genus/species: Mycobacterium tuberculosis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
MptpA: GAMGMSDPLHVTFVCTGNIC
RSPMAEKMFAQQLRHRGLGD
AVRVTSAGTGNWHVGSCADE
RAAGVLRLHGYPTDHRAAQV
GTEHLAADLLVALDRNHARL
LRQLGVEAARVRMLRSFDPR
SGTHALDVEDPYYGDHSDFE
EVFAVIESALPGLHDWVDER
LARNGPS
- assigned_chemical_shifts
- heteronucl_NOEs
- heteronucl_T1_relaxation
- heteronucl_T2_relaxation
- order_parameters
| Data type | Count |
| heteronuclear NOE values | 132 |
| T1 relaxation values | 136 |
| T2 relaxation values | 133 |
| order parameters | 119 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | MptpA | 1 |
Entities:
Entity 1, MptpA 167 residues - Formula weight is not available
| 1 | GLY | ALA | MET | GLY | MET | SER | ASP | PRO | LEU | HIS | ||||
| 2 | VAL | THR | PHE | VAL | CYS | THR | GLY | ASN | ILE | CYS | ||||
| 3 | ARG | SER | PRO | MET | ALA | GLU | LYS | MET | PHE | ALA | ||||
| 4 | GLN | GLN | LEU | ARG | HIS | ARG | GLY | LEU | GLY | ASP | ||||
| 5 | ALA | VAL | ARG | VAL | THR | SER | ALA | GLY | THR | GLY | ||||
| 6 | ASN | TRP | HIS | VAL | GLY | SER | CYS | ALA | ASP | GLU | ||||
| 7 | ARG | ALA | ALA | GLY | VAL | LEU | ARG | LEU | HIS | GLY | ||||
| 8 | TYR | PRO | THR | ASP | HIS | ARG | ALA | ALA | GLN | VAL | ||||
| 9 | GLY | THR | GLU | HIS | LEU | ALA | ALA | ASP | LEU | LEU | ||||
| 10 | VAL | ALA | LEU | ASP | ARG | ASN | HIS | ALA | ARG | LEU | ||||
| 11 | LEU | ARG | GLN | LEU | GLY | VAL | GLU | ALA | ALA | ARG | ||||
| 12 | VAL | ARG | MET | LEU | ARG | SER | PHE | ASP | PRO | ARG | ||||
| 13 | SER | GLY | THR | HIS | ALA | LEU | ASP | VAL | GLU | ASP | ||||
| 14 | PRO | TYR | TYR | GLY | ASP | HIS | SER | ASP | PHE | GLU | ||||
| 15 | GLU | VAL | PHE | ALA | VAL | ILE | GLU | SER | ALA | LEU | ||||
| 16 | PRO | GLY | LEU | HIS | ASP | TRP | VAL | ASP | GLU | ARG | ||||
| 17 | LEU | ALA | ARG | ASN | GLY | PRO | SER |
Samples:
sample_1: MptpA, [U-15N], 1.0 mM; NaCl 150 mM; HEPES 50 mM; DTT 10 mM
sample_conditions_1: temperature: 298 K; pH: 7.0; pressure: 1 atm
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 1H, 1H-NOESY-15N TROSY | 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 |
| 15N-{1H} NOE | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v3.9, Guntert, Mumenthaler and Wuthrich - structure calculation
SPARKY v3.114, Goddard - peak picking, data analysis
ARIA v1.2, Linge, O, . - structure calculation
TOPSPIN v2.1, Bruker Biospin - processing
ModelFree, Palmer - data analysis
CARA v1.8.4.2, Keller and Wuthrich - data analysis
NMR spectrometers:
- Bruker TXI-HCN 600 MHz
- Bruker TXI-HCN 500 MHz
- Bruker TXI-HCN 700 MHz
- Bruker TXI-HCN 800 MHz
- Bruker TXI-HCN 900 MHz
- Bruker TXI-HCN 950 MHz