BMRB Entry 25458
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25458
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Title: NMR structure of an Odin-Sam1 fragment PubMed: 26120079
Deposition date: 2015-01-30 Original release date: 2015-07-13
Authors: Mercurio, Flavia; Leone, Marilisa
Citation: Mercurio, Flavia; Natale, Concetta; Pirone, Luciano; Scognamiglio, Pasqualina; Marasco, Daniela; Pedone, Emilia; Saviano, Michele; Leone, Marilisa. "Peptide Fragments of Odin-Sam1: Conformational Analysis and Interaction Studies with EphA2-Sam" Chembiochem 16, 1629-1636 (2015).
Assembly members:
entity_1, polymer, 45 residues, 4933.5 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: chemical synthesis
Entity Sequences (FASTA):
entity_1: XSKLLLNGFDDVHFLGSNVM
EEQDLRDIGISDPQHRRKLL
QAARX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 315 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 45 residues - 4933.5 Da.
The peptide corresponds to a fragment of human Odin (Uniprot code Q92625, residues 715-757) with N-terminal Acetylation and C-terminal amidation
| 1 | ACE | SER | LYS | LEU | LEU | LEU | ASN | GLY | PHE | ASP | ||||
| 2 | ASP | VAL | HIS | PHE | LEU | GLY | SER | ASN | VAL | MET | ||||
| 3 | GLU | GLU | GLN | ASP | LEU | ARG | ASP | ILE | GLY | ILE | ||||
| 4 | SER | ASP | PRO | GLN | HIS | ARG | ARG | LYS | LEU | LEU | ||||
| 5 | GLN | ALA | ALA | ARG | NH2 |
Samples:
sample_1: entity_1 600 uM; H2O 30 % v/v; 2,2,2-trifluoroethanol-d3 (TFE-d3), [U-99% 2H], 70 % v/v
sample_conditions_1: pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
VNMRJ, Varian - collection, processing
XEASY, Bartels et al. - chemical shift assignment, data analysis, peak picking
NMR spectrometers:
- Varian Unity 600 MHz