BMRB Entry 36146
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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/BMR36146
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Title: mBjAMP1 structure PubMed: 30475621
Deposition date: 2017-12-28 Original release date: 2018-12-18
Authors: Nam, J.; Lee, C.
Citation: Nam, Jiyong; Yun, Hyosuk; Rajasekaran, Ganesan; Kumar, S. Dinesh; Kim, Jae Il; Min, Hye Jung; Shin, Song Yub; Lee, Chul Won. "Structural and functional assessment of mBjAMP1, an antimicrobial peptide from Branchiostoma japonicum, revealed a novel alpha-hairpinin-like scaffold with membrane permeable and DNA binding activity." J. Med. Chem. 61, 11101-11113 (2018).
Assembly members:
mBjAMP1 peptide, polymer, 21 residues, 2490.979 Da.
Natural source: Common Name: Florida lancelet Taxonomy ID: 7739 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Branchiostoma floridae
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
mBjAMP1 peptide: NLCASLRARHTIPQCRKFGR
R
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 138 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 21 residues - 2490.979 Da.
| 1 | ASN | LEU | CYS | ALA | SER | LEU | ARG | ALA | ARG | HIS | ||||
| 2 | THR | ILE | PRO | GLN | CYS | ARG | LYS | PHE | GLY | ARG | ||||
| 3 | ARG |
Samples:
sample_1: peptides 2 mM; sodium chloride 50 mM; sodium phosphate 10 mM; H2O, natural abundace, 90%; D2O, [U-2H], 10%
sample_conditions_1: ionic strength: 50 mM; pH: 6.0; pressure: 1 atm; temperature: 298.0 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure calculation
Molmol, Koradi, Billeter and Wuthrich - chemical shift assignment
NMRView, Johnson, One Moon Scientific - peak picking
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement
NMR spectrometers:
- Bruker Avance 600 MHz