BMRB Entry 10245
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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/BMR10245
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Title: Solution structures of the SH3 domain of human megakaryocyte-associated tyrosine-protein kinase.
Deposition date: 2008-10-24 Original release date: 2009-11-03
Authors: Sato, M.; Koshiba, S.; Inoue, M.; Kigawa, T.; Yokoyama, S.
Citation: Sato, M.; Koshiba, S.; Inoue, M.; Kigawa, T.; Yokoyama, S.. "Solution structures of the SH3 domain of human megakaryocyte-associated tyrosine-protein kinase." . ., .-..
Assembly members:
SH3 domain, polymer, 81 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: cell free synthesis
Entity Sequences (FASTA):
SH3 domain: GSSGSSGRMPTRRWAPGTQC
ITKCEHTRPKPGELAFRKGD
VVTILEACENKSWYRVKHHT
SGQEGLLAAGALRERSGPSS
G
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 313 |
| 15N chemical shifts | 69 |
| 1H chemical shifts | 488 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | SH3 domain | 1 |
Entities:
Entity 1, SH3 domain 81 residues - Formula weight is not available
| 1 | GLY | SER | SER | GLY | SER | SER | GLY | ARG | MET | PRO | ||||
| 2 | THR | ARG | ARG | TRP | ALA | PRO | GLY | THR | GLN | CYS | ||||
| 3 | ILE | THR | LYS | CYS | GLU | HIS | THR | ARG | PRO | LYS | ||||
| 4 | PRO | GLY | GLU | LEU | ALA | PHE | ARG | LYS | GLY | ASP | ||||
| 5 | VAL | VAL | THR | ILE | LEU | GLU | ALA | CYS | GLU | ASN | ||||
| 6 | LYS | SER | TRP | TYR | ARG | VAL | LYS | HIS | HIS | THR | ||||
| 7 | SER | GLY | GLN | GLU | GLY | LEU | LEU | ALA | ALA | GLY | ||||
| 8 | ALA | LEU | ARG | GLU | ARG | SER | GLY | PRO | SER | SER | ||||
| 9 | GLY |
Samples:
sample_1: SH3 domain, [U-13C; U-15N], 1 mM; d-Tris HCl 20 mM; NaCl 100 mM; d-DTT 1 mM; NaN3 0.02%; H2O 90%; D2O 10%
condition_1: ionic strength: 120 mM; pH: 7.0; pressure: 1 atm; temperature: 296 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 13C-separated NOESY | sample_1 | isotropic | condition_1 |
| 3D 15N-separated NOESY | sample_1 | isotropic | condition_1 |
Software:
xwinnmr v2.6, Bruker - collection
NMRPipe v20031121, Delaglio, F. - processing
NMRView v5.0.4, Johnson, B.A. - data analysis
Kujira v0.9295, Kobayashi, N. - data analysis
CYANA v1.0.7, Guntert, P. - refinement, structure solution
NMR spectrometers:
- Bruker AVANCE 800 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts