BMRB Entry 34213
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34213
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Title: NMR structure of EphA2-Sam stapled peptides (S13ST) PubMed: 30036816
Deposition date: 2017-12-11 Original release date: 2018-07-26
Authors: Mercurio, F.; Leone, M.
Citation: Mercurio, F.; Pirone, L.; Di Natale, C.; Marasco, D.; Pedone, E.; Leone, M.. "Sam domain-based stapled peptides: Structural analysis and interaction studies with the Sam domains from the EphA2 receptor and the lipid phosphatase Ship2" Bioorg. Chem. 80, 602-610 (2018).
Assembly members:
entity_1, polymer, 27 residues, 2905.534 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: XKRIGVRLPGHQKRXAYSXL
GLKDQVX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 200 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 27 residues - 2905.534 Da.
| 1 | ACE | LYS | ARG | ILE | GLY | VAL | ARG | LEU | PRO | GLY | ||||
| 2 | HIS | GLN | LYS | ARG | MK8 | ALA | TYR | SER | MK8 | LEU | ||||
| 3 | GLY | LEU | LYS | ASP | GLN | VAL | NH2 |
Samples:
sample_1: S13ST 650 uM
sample_conditions_1: pH: 7.1; 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:
VNMRJ, Varian - processing
XEASY, Bartels et al. - chemical shift assignment
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - refinement
Chimera v1.10.1, Pettersen et al. - geometry optimization
NMR spectrometers:
- Varian INOVA 600 MHz