BMRB Entry 16453
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16453
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Title: Intramolecular Dynamics of Low Molecular Weight Protein Tyrosine Phosphatase in Monomer-Dimer Equilibrium Studied by NMR: A Model for Changes in Dynamics upon Target Binding PubMed: 12215420
Deposition date: 2009-08-19 Original release date: 2010-03-08
Authors: Akerud, Tomas; Thulin, Eva; Van Etten, Robert; Akke, Mikael
Citation: Akerud, Tomas; Thulin, Eva; Van Etten, Robert; Akke, Mikael. "Intramolecular Dynamics of Low Molecular Weight Protein Tyrosine Phosphatase in Monomer-Dimer Equilibrium Studied by NMR: A Model for Changes in Dynamics upon Target Binding" J. Mol. Biol. 322, 137-152 (2002).
Assembly members:
LMW-PTP, polymer, 157 residues, Formula weight is not available
PO4, non-polymer, 94.971 Da.
Natural source: Common Name: cow Taxonomy ID: 9913 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Bos taurus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-11d
Entity Sequences (FASTA):
LMW-PTP: AEQVTKSVLFVCLGNICRSP
IAEAVFRKLVTDQNISDNWV
IDSGAVSDWNVGRSPDPRAV
SCLRNHGINTAHKARQVTKE
DFVTFDYILCMDESNLRDLN
RKSNQVKNCRAKIELLGSYD
PQKQLIIEDPYYGNDADFET
VYQQCVRCCRAFLEKVR
- binding_constants
| Data type | Count |
| binding constants | 6 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | LMW-PTP1 | 1 |
| 2 | LMW-PTP2 | 1 |
| 3 | Phosphate1 | 2 |
| 4 | Phosphate2 | 2 |
Entities:
Entity 1, LMW-PTP1 157 residues - Formula weight is not available
| 1 | ALA | GLU | GLN | VAL | THR | LYS | SER | VAL | LEU | PHE | ||||
| 2 | VAL | CYS | LEU | GLY | ASN | ILE | CYS | ARG | SER | PRO | ||||
| 3 | ILE | ALA | GLU | ALA | VAL | PHE | ARG | LYS | LEU | VAL | ||||
| 4 | THR | ASP | GLN | ASN | ILE | SER | ASP | ASN | TRP | VAL | ||||
| 5 | ILE | ASP | SER | GLY | ALA | VAL | SER | ASP | TRP | ASN | ||||
| 6 | VAL | GLY | ARG | SER | PRO | ASP | PRO | ARG | ALA | VAL | ||||
| 7 | SER | CYS | LEU | ARG | ASN | HIS | GLY | ILE | ASN | THR | ||||
| 8 | ALA | HIS | LYS | ALA | ARG | GLN | VAL | THR | LYS | GLU | ||||
| 9 | ASP | PHE | VAL | THR | PHE | ASP | TYR | ILE | LEU | CYS | ||||
| 10 | MET | ASP | GLU | SER | ASN | LEU | ARG | ASP | LEU | ASN | ||||
| 11 | ARG | LYS | SER | ASN | GLN | VAL | LYS | ASN | CYS | ARG | ||||
| 12 | ALA | LYS | ILE | GLU | LEU | LEU | GLY | SER | TYR | ASP | ||||
| 13 | PRO | GLN | LYS | GLN | LEU | ILE | ILE | GLU | ASP | PRO | ||||
| 14 | TYR | TYR | GLY | ASN | ASP | ALA | ASP | PHE | GLU | THR | ||||
| 15 | VAL | TYR | GLN | GLN | CYS | VAL | ARG | CYS | CYS | ARG | ||||
| 16 | ALA | PHE | LEU | GLU | LYS | VAL | ARG |
Entity 2, Phosphate1 - O4 P - 94.971 Da.
| 1 | PO4 |
Samples:
sample_1: LMW-PTP, [U-100% 15N], 0.026 ± 0.002 mM; Phosphate 200 mM; DTT 10 mM; sodium azide 3 mM; D2O 10%; H2O 90%
sample_2: LMW-PTP, [U-100% 15N], 0.079 ± 0.005 mM; Phosphate 200 mM; DTT 10 mM; sodium azide 3 mM; D2O 10%; H2O 90%
sample_3: LMW-PTP, [U-100% 15N], 0.17 ± 0.02 mM; Phosphate 200 mM; DTT 10 mM; sodium azide 3 mM; D2O 10%; H2O 90%
sample_4: LMW-PTP, [U-100% 15N], 0.34 ± 0.03 mM; Phosphate 200 mM; DTT 10 mM; sodium azide 3 mM; D2O 10%; H2O 90%
sample_5: LMW-PTP, [U-100% 15N], 0.66 ± 0.04 mM; Phosphate 200 mM; DTT 10 mM; sodium azide 3 mM; D2O 10%; H2O 90%
sample_6: LMW-PTP, [U-100% 15N], 1.24 ± 0.07 mM; Phosphate 200 mM; DTT 10 mM; sodium azide 3 mM; D2O 10%; H2O 90%
sample_conditions_1: pH: 5.0; temperature: 310 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_3 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_4 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_5 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_6 | isotropic | sample_conditions_1 |
Software:
NMRView, Johnson, One Moon Scientific - data analysis
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
Molmol, Koradi, Billeter and Wuthrich - geometry optimization
NMR spectrometers:
- Varian INOVA 600 MHz
Related Database Links:
| PDB | |
| GB | AAC37328 |
| REF | NP_776403 XP_004004007 XP_006062677 XP_010818256 XP_010824218 |
| SP | P11064 |
| TPG | DAA33805 |
| AlphaFold | P11064 |