BMRB Entry 26040
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR26040
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
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Citation: Jeon, Dasom; Jeong, Min-Cheol; Jacob, Binu; Bang, Jeong Kyu; Kim, Eun-Hee; Cheong, Chaejoon; Jung, In Duk; Park, Yoonkyung; Kim, Yangmee. "Investigation of cationicity and structure of pseudin-2 analogues for enhanced bacterial selectivity and anti-inflammatory activity" Sci. Rep. 7, 1455-1455 (2017).
PubMed: 28469145
Assembly members:
Ps-P, polymer, 24 residues, 2730.264 Da.
Natural source: Common Name: paradox frog Taxonomy ID: 43558 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Pseudis paradoxa
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
Ps-P: GLNALKKVFQPIHEAIKLIN
NHVQ
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 164 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 24 residues - 2730.264 Da.
| 1 | GLY | LEU | ASN | ALA | LEU | LYS | LYS | VAL | PHE | GLN | ||||
| 2 | PRO | ILE | HIS | GLU | ALA | ILE | LYS | LEU | ILE | ASN | ||||
| 3 | ASN | HIS | VAL | GLN |
Samples:
1mM_Ps-P: DPC 200 mM; H2O 90%; D2O 10%
200mM_DPC: pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | 1mM_Ps-P | isotropic | 200mM_DPC |
| 2D 1H-1H TOCSY | 1mM_Ps-P | isotropic | 200mM_DPC |
| 2D DQF-COSY | 1mM_Ps-P | isotropic | 200mM_DPC |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - chemical shift calculation
NMR spectrometers:
- Bruker Avance 700 MHz