BMRB Entry 52894
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52894
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
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Citation: Dhurjad, Pooja; Bazaz, Mohd Rabi; Pati, Satyam; Dandekar, Manoj; Godugu, Chandraiah; Sonti, Rajesh. "Structure and activity of conopressins: insights into in silico oxytocin/V2 receptor interactions, anti-inflammatory potential, and behavioural studies" RSC Med. Chem. ., .-. (2025).
PubMed: 40726970
Assembly members:
entity_1, polymer, 9 residues, Formula weight is not available
Natural source: Common Name: Conus monile Taxonomy ID: 351660 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus monile
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: CFIRNCPKG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 6 |
| 1H chemical shifts | 66 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Mo1033 | 1 |
Entities:
Entity 1, Mo1033 9 residues - Formula weight is not available
| 1 | CYS | PHE | ILE | ARG | ASN | CYS | PRO | LYS | GLY |
Samples:
sample_1: Mo1033 1.75 mM
sample_conditions_1: temperature: 278 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H ROESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN - collection
CcpNMR - chemical shift assignment
NMR spectrometers:
- Bruker Avance 500 MHz