BMRB Entry 19354
Click here to enlarge.
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/BMR19354
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: Solution structure of Smoothened PubMed: 24351982
Deposition date: 2013-07-09 Original release date: 2014-02-13
Authors: Rana, Rajashree; Lee, Ho-Jin; Zheng, Jie
Citation: Rana, Rajashree; Carroll, Candace; Lee, Ho-Jin; Bao, Ju; Marada, Suresh; Grace, Christy; Guibao, Cristina; Ogden, Stacey; Zheng, Jie. "Structural insights into the role of the Smoothened cysteine-rich domain in Hedgehog signalling." Nat. Commun. 4, 2965-2965 (2013).
Assembly members:
entity, polymer, 128 residues, 15224.935 Da.
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: SGLVPRGSHMVRRARCYPTS
NATNTCFGSKLPYELSSLDL
TDFHTEKELNDKLNDYYALK
HVPKCWAAIQPFLCAVFKPK
CEKINGEDMVYLPSYEMCRI
TMEPCRILYNTTFFPKFLRC
NETLFPTK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 556 |
| 15N chemical shifts | 125 |
| 1H chemical shifts | 926 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Smoothened | 1 |
Entities:
Entity 1, Smoothened 128 residues - 15224.935 Da.
| 1 | SER | GLY | LEU | VAL | PRO | ARG | GLY | SER | HIS | MET | ||||
| 2 | VAL | ARG | ARG | ALA | ARG | CYS | TYR | PRO | THR | SER | ||||
| 3 | ASN | ALA | THR | ASN | THR | CYS | PHE | GLY | SER | LYS | ||||
| 4 | LEU | PRO | TYR | GLU | LEU | SER | SER | LEU | ASP | LEU | ||||
| 5 | THR | ASP | PHE | HIS | THR | GLU | LYS | GLU | LEU | ASN | ||||
| 6 | ASP | LYS | LEU | ASN | ASP | TYR | TYR | ALA | LEU | LYS | ||||
| 7 | HIS | VAL | PRO | LYS | CYS | TRP | ALA | ALA | ILE | GLN | ||||
| 8 | PRO | PHE | LEU | CYS | ALA | VAL | PHE | LYS | PRO | LYS | ||||
| 9 | CYS | GLU | LYS | ILE | ASN | GLY | GLU | ASP | MET | VAL | ||||
| 10 | TYR | LEU | PRO | SER | TYR | GLU | MET | CYS | ARG | ILE | ||||
| 11 | THR | MET | GLU | PRO | CYS | ARG | ILE | LEU | TYR | ASN | ||||
| 12 | THR | THR | PHE | PHE | PRO | LYS | PHE | LEU | ARG | CYS | ||||
| 13 | ASN | GLU | THR | LEU | PHE | PRO | THR | LYS |
Samples:
sample_1: entity 200 mM; acetic acid, [U-2H], 10 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0 M; pH: 5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure solution
NMR spectrometers:
- Bruker Avance 800 MHz
- Bruker Avance 600 MHz
Related Database Links:
| PDB |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts