BMRB Entry 17931
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17931
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Title: biphosphorylated (747pY, 759pY) beta3 integrin cytoplasmic tail under membrane mimetic conditions PubMed: 21956114
Deposition date: 2011-09-11 Original release date: 2011-10-20
Authors: Deshmukh, Lalit; Vinogradova, Olga
Citation: Deshmukh, Lalit; Meller, Nahum; Alder, Nathan; Byzova, Tatiana; Vinogradova, Olga. "Tyrosine phosphorylation as a conformational switch: a case study of integrin 3 cytoplasmic tail." J. Biol. Chem. 286, 40943-40953 (2011).
Assembly members:
biphosphorylated_beta3_integrin, polymer, 67 residues, 5746.294 Da.
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
Entity Sequences (FASTA):
biphosphorylated_beta3_integrin: GSSHHHHHHSSGLVPRGSHM
KLLITIHDRKEFAKFEEERA
RAKWDTANNPLXKEATSTFT
NITXRGT
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 213 |
| 15N chemical shifts | 48 |
| 1H chemical shifts | 329 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | biphosphorylated (747pY, 759pY) beta3 integrin | 1 |
Entities:
Entity 1, biphosphorylated (747pY, 759pY) beta3 integrin 67 residues - 5746.294 Da.
| 1 | GLY | SER | SER | HIS | HIS | HIS | HIS | HIS | HIS | SER | ||||
| 2 | SER | GLY | LEU | VAL | PRO | ARG | GLY | SER | HIS | MET | ||||
| 3 | LYS | LEU | LEU | ILE | THR | ILE | HIS | ASP | ARG | LYS | ||||
| 4 | GLU | PHE | ALA | LYS | PHE | GLU | GLU | GLU | ARG | ALA | ||||
| 5 | ARG | ALA | LYS | TRP | ASP | THR | ALA | ASN | ASN | PRO | ||||
| 6 | LEU | PTR | LYS | GLU | ALA | THR | SER | THR | PHE | THR | ||||
| 7 | ASN | ILE | THR | PTR | ARG | GLY | THR |
Samples:
sample_1: biphosphorylated_beta3_integrin, [U-100% 13C; U-100% 15N], 0.2 mM; DSS 1 mM; DPC, [U-100% 2H], 150 – 300 mM; sodium phosphate 20 mM; D2O 95%; H2O 5%
sample_conditions_1: pH: 5.9; pressure: 1 atm; temperature: 273 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 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS v1.21, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
PSVS, Bhattacharya and Montelione - validation
NMR spectrometers:
- Varian INOVA 600 MHz
- Varian compact 800 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts