BMRB Entry 36009
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR36009
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Title: Solution NMR structure of Humanin containing a D-isomerized serine residue PubMed: 27349871
Deposition date: 2016-06-25 Original release date: 2016-09-08
Authors: Sugiki, T.; Furuita, K.; Alsanousi, N.; Fujiwara, T.; Kojima, C.
Citation: Alsanousi, N.; Sugiki, T.; Furuita, K.; So, M.; Lee, Y.; Fujiwara, T.; Kojima, C.. "Solution NMR structure and inhibitory effect against amyloid-beta fibrillation of Humanin containing a d-isomerized serine residue" Biochem. Biophys. Res. Commun. 477, 647-653 (2016).
Assembly members:
entity_1, polymer, 24 residues, 2691.264 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: MAPRGFSCLLLLTXEIDLPV
KRRA
- assigned_chemical_shifts
Data type | Count |
15N chemical shifts | 22 |
1H chemical shifts | 158 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 24 residues - 2691.264 Da.
1 | MET | ALA | PRO | ARG | GLY | PHE | SER | CYS | LEU | LEU | ||||
2 | LEU | LEU | THR | DSN | GLU | ILE | ASP | LEU | PRO | VAL | ||||
3 | LYS | ARG | ARG | ALA |
Samples:
sample_1: D-Ser-containing humanin 2.0 mM; trifluoroethanol, U-99% D, 30%; H2O 70%
sample_conditions_1: ionic strength: 0 mM; pH: 7; pressure: 1 atm; temperature: 298 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v3.97, Guntert, Mumenthaler and Wuthrich - structure calculation
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - chemical shift assignment
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement
NMR spectrometers:
- Bruker AvanceIII HD 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts