BMRB Entry 50634
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50634
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Citation: Taylor, Corey; Shonberger, Nora; Lanikova, Alice; Patzschke, Michael; Drobot, Bjorn; Zidek, Lukas; Lederer, Franziska. "Investigation of the structure and dynamics of Gallium binding to high-affinity peptides elucidated by multi-scale simulation, quantum chemistry, NMR and ITC" Phys. Chem. Chem. Phys. 23, 8618-8632 (2021).
PubMed: 33876023
Assembly members:
entity_1, polymer, 12 residues, 1362.51 Da.
entity_GA, non-polymer, 69.723 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: HTCHIQSCDHLA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 21 |
| 1H chemical shifts | 74 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | M3 peptide | 1 |
| 2 | gallium ion | 2 |
Entities:
Entity 1, M3 peptide 12 residues - 1362.51 Da.
| 1 | HIS | THR | CYS | HIS | ILE | GLN | SER | CYS | ASP | HIS | ||||
| 2 | LEU | ALA |
Entity 2, gallium ion - Ga - 69.723 Da.
| 1 | GA |