BMRB Entry 51497
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51497
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Citation: Gopalswamy, Mohanraj; Kroeger, Tobias; Bickel, David; Frieg, Benedikt; Akter, Shahina; Schott-Verdugo, Stephan; Viegas, Aldino; Pauly, Thomas; Mayer, Manuela; Przibilla, Julia; Reiners, Jens; Nagel-Steger, Luitgard; Smits, Sander; Groth, Georg; Etzkorn, Manuel; Gohlke, Holger. "Biophysical and pharmacokinetic characterization of a small-molecule inhibitor of RUNX1/ETO tetramerization with anti-leukemic effects" Sci. Rep. 12, 14158-14158 (2022).
PubMed: 35986043
Assembly members:
entity_1, polymer, 68 residues, Formula weight is not available
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 Vector: pETSUMO
Entity Sequences (FASTA):
entity_1: QEEMIDHRLTDREWAEEWKH
LDHLLNCIMDMVEKTRRSLT
VLRRCQEADREELNYWIRRY
SDAEDLKK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 63 |
| 15N chemical shifts | 21 |
| 1H chemical shifts | 21 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | NHR2 | 1 |
Entities:
Entity 1, NHR2 68 residues - Formula weight is not available
AML/ETO (752 amino acid) is an oncogenic homotetrameric fusion protein and NHR2 (485-552) is one of the domains in the fusion protein. The author numbering of amino acid sequence is based on the full protein.
| 1 | GLN | GLU | GLU | MET | ILE | ASP | HIS | ARG | LEU | THR | ||||
| 2 | ASP | ARG | GLU | TRP | ALA | GLU | GLU | TRP | LYS | HIS | ||||
| 3 | LEU | ASP | HIS | LEU | LEU | ASN | CYS | ILE | MET | ASP | ||||
| 4 | MET | VAL | GLU | LYS | THR | ARG | ARG | SER | LEU | THR | ||||
| 5 | VAL | LEU | ARG | ARG | CYS | GLN | GLU | ALA | ASP | ARG | ||||
| 6 | GLU | GLU | LEU | ASN | TYR | TRP | ILE | ARG | ARG | TYR | ||||
| 7 | SER | ASP | ALA | GLU | ASP | LEU | LYS | LYS |
Samples:
sample_1: NHR2, [U-100% 13C; U-100% 15N; U-80% 2H], 335 uM; Sodium Chloride 50 mM; Sodium Phophate 50 mM
sample_conditions_1: ionic strength: 0.05 M; pH: 6.5; pressure: 1 atm; temperature: 308 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N TROSY | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCACONH | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRView - chemical shift assignment
NMR spectrometers:
- Bruker AVANCE III 750 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
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SPARKY: Backbone
or all simulated peaks