BMRB Entry 11196
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11196
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Inoue, K.; Nagashima, T.; Hayashi, F.; Yokoyama, S.. "Solution structure of the third SH3 domain from human KIAA1666 protein" .
Assembly members:
SH3 domain, polymer, 75 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 Host organism: E. coli - cell free Vector: P060227-11
Entity Sequences (FASTA):
SH3 domain: GSSGSSGKIMIAALDYDPGD
GQMGGQGKGRLALRAGDVVM
VYGPMDDQGFYYGELGGHRG
LVPAHLLDHMSLHGH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 293 |
| 15N chemical shifts | 68 |
| 1H chemical shifts | 461 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | SH3 domain | 1 |
Entities:
Entity 1, SH3 domain 75 residues - Formula weight is not available
| 1 | GLY | SER | SER | GLY | SER | SER | GLY | LYS | ILE | MET | ||||
| 2 | ILE | ALA | ALA | LEU | ASP | TYR | ASP | PRO | GLY | ASP | ||||
| 3 | GLY | GLN | MET | GLY | GLY | GLN | GLY | LYS | GLY | ARG | ||||
| 4 | LEU | ALA | LEU | ARG | ALA | GLY | ASP | VAL | VAL | MET | ||||
| 5 | VAL | TYR | GLY | PRO | MET | ASP | ASP | GLN | GLY | PHE | ||||
| 6 | TYR | TYR | GLY | GLU | LEU | GLY | GLY | HIS | ARG | GLY | ||||
| 7 | LEU | VAL | PRO | ALA | HIS | LEU | LEU | ASP | HIS | MET | ||||
| 8 | SER | LEU | HIS | GLY | HIS |
Samples:
sample_1: SH3 domain, [U-13C; U-15N], 1.01 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: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 15N-separated NOESY | sample_1 | isotropic | condition_1 |
| 3D 13C-separated NOESY | sample_1 | isotropic | condition_1 |
Software:
VNMR v6.1C, Varian - collection
NMRPipe v20060324, Delaglio, F. - processing
NMRView v5.0.4, Johnson, B.A. - data analysis
Kujira v0.9807, Kobayashi, N. - data analysis
CYANA v2.1, Guntert, P. - refinement, structure solution
NMR spectrometers:
- Varian INOVA 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks