BMRB Entry 19172
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19172
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NMR-STAR v3 text file.
XML gzip file.
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Citation: Rubio, Lucia; Huculeci, Radu; Buts, Lieven; Vanwetswinkel, Sophie; Lenaerts, Tom; van Nuland, Nico. "(1)H, (13)C, and (15)N backbone and side-chain chemical shift assignments of the free and bound forms of the human PTPN11 second SH2 domain." Biomol. NMR Assignments ., .-. (2013).
PubMed: 23838815
Assembly members:
PTPN11_C-SH2_free, polymer, 118 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):
PTPN11_C-SH2_free: GSHMTSERWFHGHLSGKEAE
KLLTEKGKHGSFLVRESQSH
PGDFVLSVRTGDDKGESNDG
KSKVTHVMIRCQELKYDVGG
GERFDSLTDLVEHYKKNPMV
ETLGTVLQLKQPLNTTRI
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 507 |
| 15N chemical shifts | 120 |
| 1H chemical shifts | 805 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | C-SH2 | 1 |
Entities:
Entity 1, C-SH2 118 residues - Formula weight is not available
| 1 | GLY | SER | HIS | MET | THR | SER | GLU | ARG | TRP | PHE | ||||
| 2 | HIS | GLY | HIS | LEU | SER | GLY | LYS | GLU | ALA | GLU | ||||
| 3 | LYS | LEU | LEU | THR | GLU | LYS | GLY | LYS | HIS | GLY | ||||
| 4 | SER | PHE | LEU | VAL | ARG | GLU | SER | GLN | SER | HIS | ||||
| 5 | PRO | GLY | ASP | PHE | VAL | LEU | SER | VAL | ARG | THR | ||||
| 6 | GLY | ASP | ASP | LYS | GLY | GLU | SER | ASN | ASP | GLY | ||||
| 7 | LYS | SER | LYS | VAL | THR | HIS | VAL | MET | ILE | ARG | ||||
| 8 | CYS | GLN | GLU | LEU | LYS | TYR | ASP | VAL | GLY | GLY | ||||
| 9 | GLY | GLU | ARG | PHE | ASP | SER | LEU | THR | ASP | LEU | ||||
| 10 | VAL | GLU | HIS | TYR | LYS | LYS | ASN | PRO | MET | VAL | ||||
| 11 | GLU | THR | LEU | GLY | THR | VAL | LEU | GLN | LEU | LYS | ||||
| 12 | GLN | PRO | LEU | ASN | THR | THR | ARG | ILE |
Samples:
sample_1: PTPN11 C-SH2 free, [U-98% 13C; U-98% 15N], 0.7 – 1 mM; D2O 7%; H2O 93%
sample_conditions_1: ionic strength: 0 M; pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | 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 HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| HBCBCGCDHD | sample_1 | isotropic | sample_conditions_1 |
| HBCBCGCDCEHE | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
CcpNMR, CCPN - chemical shift assignment
NMR spectrometers:
- Varian VNS 600 MHz
- Varian VNS 800 MHz
Related Database Links:
| BMRB | 19173 |
| PDB | |
| DBJ | BAE37500 |
| GB | ACE60554 |
| REF | XP_004709716 XP_009480670 XP_010826895 XP_012878594 XP_013359171 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks