BMRB Entry 52315
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52315
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Citation: Jiang, Zhihao; Huang, Yen-Hua; Kaas, Quentin; Craik, David; Wang, Conan. "Structure and Activity of Reconstructed Pseudo-Ancestral Cyclotides" ChemMedChem 19, e202400124-e202400124 (2024).
PubMed: 38632079
Assembly members:
entity_1, polymer, 30 residues, Formula weight is not available
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: GIPCGESCVYIPCITAAIGC
SCKNKVCYRN
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 44 |
| 1H chemical shifts | 134 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Ancy-b | 1 |
Entities:
Entity 1, Ancy-b 30 residues - Formula weight is not available
| 1 | GLY | ILE | PRO | CYS | GLY | GLU | SER | CYS | VAL | TYR | |
| 2 | ILE | PRO | CYS | ILE | THR | ALA | ALA | ILE | GLY | CYS | |
| 3 | SER | CYS | LYS | ASN | LYS | VAL | CYS | TYR | ARG | ASN |
Samples:
sample_1: Ancy-b 1.77 mg; D2O 10%; DSS 0.2%
sample_conditions_1: pH: 3.56; pressure: 1 atm; temperature: 331.5 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1D 1H | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HMQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 1D 1H | sample_1 | isotropic | sample_conditions_1 |
Software:
CcpNMR - chemical shift assignment
NMR spectrometers:
- Bruker AVANCE III 600 MHz
- Bruker Avance 500 MHz