BMRB Entry 27126
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR27126
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Title: SH2B1/JAK2-pep complex PubMed: 29127727
Deposition date: 2017-06-05 Original release date: 2017-11-16
Authors: McKercher, Marissa; Guan, Xiaoyang; Tan, Zhongping; Wuttke, Deborah
Citation: McKercher, Marissa; Guan, Xiaoyang; Tan, Zhongping; Wuttke, Deborah. "Diversity in Peptide Recognition by the SH2 Domain of SH2B1" Proteins 86, 164-176 (2018).
Assembly members:
SH2B1_SH2_Domain, polymer, 114 residues, 12812 Da.
JAK2_peptide_(FTPD-pYpELLTEN), polymer, 11 residues, Formula weight is not available
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET15b
Entity Sequences (FASTA):
SH2B1_SH2_Domain: GSHMDQPLSGYPWFHGMLSR
LKAAQLVLTGGTGSHGVFLV
RQSETRRGEYVLTFNFQGKA
KHLRLSLNEEGQCRVQHLWF
QSIFDMLEHFRVHPIPLESG
GSSDVVLVSYVPSS
JAK2_peptide_(FTPD-pYpELLTEN): FTPDYELLTEN
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 102 |
| 15N chemical shifts | 102 |
| 1H chemical shifts | 102 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | SH2B1 SH2 Domain | 1 |
| 2 | JAK2 peptide | 2 |
Entities:
Entity 1, SH2B1 SH2 Domain 114 residues - 12812 Da.
Residues 1-4 (GSHM) are carried over from the affinity tag after thrombin protease cleavage
| 1 | GLY | SER | HIS | MET | ASP | GLN | PRO | LEU | SER | GLY | ||||
| 2 | TYR | PRO | TRP | PHE | HIS | GLY | MET | LEU | SER | ARG | ||||
| 3 | LEU | LYS | ALA | ALA | GLN | LEU | VAL | LEU | THR | GLY | ||||
| 4 | GLY | THR | GLY | SER | HIS | GLY | VAL | PHE | LEU | VAL | ||||
| 5 | ARG | GLN | SER | GLU | THR | ARG | ARG | GLY | GLU | TYR | ||||
| 6 | VAL | LEU | THR | PHE | ASN | PHE | GLN | GLY | LYS | ALA | ||||
| 7 | LYS | HIS | LEU | ARG | LEU | SER | LEU | ASN | GLU | GLU | ||||
| 8 | GLY | GLN | CYS | ARG | VAL | GLN | HIS | LEU | TRP | PHE | ||||
| 9 | GLN | SER | ILE | PHE | ASP | MET | LEU | GLU | HIS | PHE | ||||
| 10 | ARG | VAL | HIS | PRO | ILE | PRO | LEU | GLU | SER | GLY | ||||
| 11 | GLY | SER | SER | ASP | VAL | VAL | LEU | VAL | SER | TYR | ||||
| 12 | VAL | PRO | SER | SER |
Entity 2, JAK2 peptide 11 residues - Formula weight is not available
The tyrosine is phosphorylated
| 1 | PHE | THR | PRO | ASP | TYR | GLU | LEU | LEU | THR | GLU | ||||
| 2 | ASN |
Samples:
sample_1: SH2B1 SH2 Domain, [U-100% 13C; U-100% 15N], 1 mM; JAK2 peptide (FTPD-pYpELLTEN) 1.5 mM; TRIS 50 mM; TSP 150 uM; sodium chloride 50 mM; EDTA 1 mM; DTT 1 mM
sample_conditions_1: pH: 7.4; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
Software:
VNMRJ, Varian - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Oxford INOVA 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts