BMRB Entry 30792
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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/BMR30792
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Title: Peptide from stony coral Heliofungia actiniformis: Hact-1 PubMed: 33166137
Deposition date: 2020-09-08 Original release date: 2020-11-20
Authors: Daly, N.; Schmidt, C.
Citation: Schmidt, Casey; Wilson, David; Cooke, Ira; Potriquet, Jeremy; Tungatt, Katie; Muruganandah, Visai; Boote, Chloe; Kuek, Felicity; Miles, John; Kupz, Andreas; Ryan, Stephanie; Loukas, Alex; Bansal, Paramjit; Takjoo, Rozita; Miller, David; Peigneur, Steve; Tytgat, Jan; Daly, Norelle. "Identification and Characterization of a Peptide from the Stony Coral Heliofungia actiniformis" J. Nat. Prod. 83, 3454-3463 (2020).
Assembly members:
entity_1, polymer, 12 residues, 1358.607 Da.
Natural source: Common Name: stony corals Taxonomy ID: 75303 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Heliofungia actiniformis
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: GCHYTPFGLICF
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 25 |
| 1H chemical shifts | 72 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 12 residues - 1358.607 Da.
| 1 | GLY | CYS | HIS | TYR | THR | PRO | PHE | GLY | LEU | ILE | ||||
| 2 | CYS | PHE |
Samples:
sample_1: Hact-1 0.5 mM
sample_conditions_1: ionic strength: 1 mM; pH: 4; pressure: 1 atm; temperature: 290 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D TOCSY | sample_1 | anisotropic | sample_conditions_1 |
| 2D NOESY | sample_1 | anisotropic | sample_conditions_1 |
| 2D COSY | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | anisotropic | sample_conditions_1 |
Software:
TopSpin, Bruker Biospin - collection
CcpNmr Analysis, CCPN - data analysis
CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation
NMR spectrometers:
- Bruker AVANCE 600 MHz