BMRB Entry 17089
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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/BMR17089
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Title: SH3-F2
Deposition date: 2010-07-30 Original release date: 2012-08-02
Authors: Kutyshenko, Viktor; Gushchina, Lyubov; Khristoforov, Vladimir; Prokhorov, Dmitry; Timchenko, Maria; Kudrevatykh, Yuri; Fedyukina, Daria; Filimonov, Vladimir
Citation: Kutyshenko, Viktor; Gushchina, Lyubov; Khristoforov, Vladimir; Prokhorov, Dmitry; Timchenko, Maria; Kudrevatykh, Yuri; Fedyukina, Daria; Filimonov, Vladimir. "Chimeric SHA-D domain ("SH3-Bergerac"): 3D-structure and dynamics studies in solution" Bioorg. Khim. 36, 505-513 (2010).
Assembly members:
SH3-F2, polymer, 73 residues, 8124.332 Da.
Natural source: Common Name: Chicken Taxonomy ID: 9031 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Gallus gallus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
SH3-F2: MGAPPLPPYSAGGREVTMKK
GDILTLLNSTNKDWWKVEVN
DRQGFVPAAYVKKLDSGTGK
ELVLALYDYQEKS
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 319 |
| 15N chemical shifts | 75 |
| 1H chemical shifts | 519 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | SH3 monomer | 1 |
Entities:
Entity 1, SH3 monomer 73 residues - 8124.332 Da.
| 1 | MET | GLY | ALA | PRO | PRO | LEU | PRO | PRO | TYR | SER | ||||
| 2 | ALA | GLY | GLY | ARG | GLU | VAL | THR | MET | LYS | LYS | ||||
| 3 | GLY | ASP | ILE | LEU | THR | LEU | LEU | ASN | SER | THR | ||||
| 4 | ASN | LYS | ASP | TRP | TRP | LYS | VAL | GLU | VAL | ASN | ||||
| 5 | ASP | ARG | GLN | GLY | PHE | VAL | PRO | ALA | ALA | TYR | ||||
| 6 | VAL | LYS | LYS | LEU | ASP | SER | GLY | THR | GLY | LYS | ||||
| 7 | GLU | LEU | VAL | LEU | ALA | LEU | TYR | ASP | TYR | GLN | ||||
| 8 | GLU | LYS | SER |
Samples:
sample_1: SH3-F2, [U-98% 13C; U-98% 15N], 1.5 mM; sodium acetate, [U-99% 2H], 20 mM; sodium azide 0.03%; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 20 mM; pH: 4.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CC(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY-ali | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY-aro | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY-ali | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY-aro | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v2.1, P.GUNTERT ET AL. - refinement
xwinnmr v3.5, Bruker Biospin, Bruker Biospin, Cornilescu, Delaglio and Bax, Guntert, Mumenthaler and Wuthrich, Keller and Wuthrich, Koradi, Billeter and Wuthrich - chemical shift assignment, collection, data analysis, dihedral angle prediction, processing, structure solution
NMR spectrometers:
- Bruker Avance 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts