BMRB Entry 16139
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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/BMR16139
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Title: NMR solution structure of the CASKIN SH3 domain
Deposition date: 2009-01-27 Original release date: 2015-07-24
Authors: Donaldson, Logan
Citation: Donaldson, Logan. "Solution structure of the CASKIN2 SH3 domain" Not known ., .-..
Assembly members:
caskinSH3, polymer, 84 residues, 9450 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):
caskinSH3: GSSHHHHHHSSGLVPRGSSL
KVRALKDFWNLHDPTALNVR
AGDVITVLEQHPDGRWKGHI
HESQRGTDRIGYFPPGIVEV
VSKR
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 246 |
| 15N chemical shifts | 55 |
| 1H chemical shifts | 383 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | caskinSH3 | 1 |
Entities:
Entity 1, caskinSH3 84 residues - 9450 Da.
| 1 | GLY | SER | SER | HIS | HIS | HIS | HIS | HIS | HIS | SER | ||||
| 2 | SER | GLY | LEU | VAL | PRO | ARG | GLY | SER | SER | LEU | ||||
| 3 | LYS | VAL | ARG | ALA | LEU | LYS | ASP | PHE | TRP | ASN | ||||
| 4 | LEU | HIS | ASP | PRO | THR | ALA | LEU | ASN | VAL | ARG | ||||
| 5 | ALA | GLY | ASP | VAL | ILE | THR | VAL | LEU | GLU | GLN | ||||
| 6 | HIS | PRO | ASP | GLY | ARG | TRP | LYS | GLY | HIS | ILE | ||||
| 7 | HIS | GLU | SER | GLN | ARG | GLY | THR | ASP | ARG | ILE | ||||
| 8 | GLY | TYR | PHE | PRO | PRO | GLY | ILE | VAL | GLU | VAL | ||||
| 9 | VAL | SER | LYS | ARG |
Samples:
sample_1: caskinSH3, [U-98% 13C; U-98% 15N], 0.6 mM; D2O 10 mM; sodium azide 0.05%; sodium chloride 150 mM; sodium phosphate 20 mM
sample_conditions_1: ionic strength: 0.15 M; pH: 7.8; pressure: 1 atm; temperature: 293 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 CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | 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 |
Software:
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
NMRView v5.1, Johnson, One Moon Scientific - peak picking
X-PLOR NIH v2.21, Schwieters, Kuszewski, Tjandra and Clore - refinement
NMR spectrometers:
- Varian NMRS 600 MHz
Related Database Links:
| GB | 45219846 AAH53083 AAH66643 AAL49757 AAL49759 EAW89278 |
| PDB | |
| DBJ | BAA86453 BAC98107 BAG62095 BAG72483 BAH14307 |
| REF | NP_001100535 NP_001136115 NP_001178177 NP_065804 NP_542374 |
| SP | Q8VHK1 Q8WXE0 |
| TPG | DAA18141 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts