BMRB Entry 26063
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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/BMR26063
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Title: 20 lowest energy ensemble of dermcidin (DCD1L) NMR structure PubMed: 29066724
Deposition date: 2016-06-29 Original release date: 2017-07-05
Authors: Tan, Kang Wei; Mok, Yu-Keung
Citation: Nguyen, Van Sang; Tan, Kang Wei; Ramesh, Karthik; Chew, Fook Tim; Mok, Yu Keung. "Structural basis for the bacterial membrane insertion of dermcidin peptide, DCD-1L." Sci. Rep. 7, 13923-13923 (2017).
Assembly members:
entity, 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):
entity: SSLLEKGLDGAKKAVGGLGK
LGKDAVEDLESVGKGAVHDV
KDVLDSVL
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 45 |
| 1H chemical shifts | 315 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 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: entity, [U-100% 13C; U-100% 15N], 1 mM
sample_conditions_1: ionic strength: 0 M; pH: 7; pressure: 1 atm; temperature: 273 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution
NMR spectrometers:
- Bruker Avance 800 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts