BMRB Entry 30448
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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/BMR30448
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Title: HRFLRH peptide NMR structure in the presence of CO2 PubMed: 29933027
Deposition date: 2018-04-03 Original release date: 2018-06-26
Authors: Pires, D.; Arake, L.; Silva, L.; Lopez-Castillo, A.; Prates, M.; Nascimento, C.; Bloch Jr, C.
Citation: Pires, D.; Arake, L.; Silva, L.; Lopez-Castillo, A.; Prates, M.; Nascimento, C.; Bloch Jr, C.. "A Previously Undescribed Hexapeptide His-Arg-Phe-Leu-Arg-His-NH2 From Amphibian Skin Secretion shows CO2 and Metal Biding Affinities" Peptides 106, 37-44 (2018).
Assembly members:
entity_1, polymer, 7 residues, 867.036 Da.
Natural source: Common Name: Mato Grosso leaf frog Taxonomy ID: 536631 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Phyllomedusa centralis
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: HRFLRHX
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 28 |
| 1H chemical shifts | 48 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 7 residues - 867.036 Da.
| 1 | HIS | ARG | PHE | LEU | ARG | HIS | NH2 |
Samples:
sample_1: HIS-ARG-PHE-LEU-ARG-HIS, [U-13C], 2 mM; CO2 2 v/v
sample_conditions_1: ionic strength: 2 mM; pH: 4.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure calculation
NMRView, Johnson, One Moon Scientific - chemical shift assignment
NMR spectrometers:
- Bruker AvanceIII 800 MHz