BMRB Entry 16817
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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/BMR16817
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Title: Solution structure of dermcidin-1L, a human antibiotic peptide PubMed: 20510021
Deposition date: 2010-03-31 Original release date: 2010-06-15
Authors: Jung, Hyun Ho; Yang, Sung-Tae; Kim, Jae Il
Citation: Jung, Hyun Ho; Yang, Sung-Tae; Sim, Ji-Yeong; Lee, Seungkyu; Lee, Ju Yeon; Kim, Ha Hyung; Shin, Song Yub; Kim, Jae Il. "Analysis of the solution structure of the human antibiotic peptide dermcidin and its interaction with phospholipid vesicles." BMB Rep. 43, 362-368 (2010).
Assembly members:
dermcidin-1L, polymer, 48 residues, 4826.549 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
dermcidin-1L: SSLLEKGLDGAKKAVGGLGK
LGKDAVEDLESVGKGAVHDV
KDVLDSVL
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 47 |
| 1H chemical shifts | 297 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | dermcidin-1L | 1 |
Entities:
Entity 1, dermcidin-1L 48 residues - 4826.549 Da.
| 1 | SER | SER | LEU | LEU | GLU | LYS | GLY | LEU | ASP | GLY | ||||
| 2 | ALA | LYS | LYS | ALA | VAL | GLY | GLY | LEU | GLY | LYS | ||||
| 3 | LEU | GLY | LYS | ASP | ALA | VAL | GLU | ASP | LEU | GLU | ||||
| 4 | SER | VAL | GLY | LYS | GLY | ALA | VAL | HIS | ASP | VAL | ||||
| 5 | LYS | ASP | VAL | LEU | ASP | SER | VAL | LEU |
Samples:
sample_1: TFE, [U-99% 2H], 50%; D2O, [U-99% 2H], 10%; H2O 40%
sample_conditions_1: pH: 4.2; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNHA | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger A. T. et.al. - refinement
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Bruker Avance 600 MHz
Related Database Links:
| PDB | |
| GB | AAH62682 AAH69108 AAK94785 AAL18349 AAL25801 |
| REF | NP_001287783 NP_444513 XP_001170688 XP_003807608 XP_004053332 |
| SP | P81605 |
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