BMRB Entry 18634
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18634
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Title: Structural basis for the interaction of human -defensins 1 and 6 and its receptors CCR2 corresponding peptide and breast cancer cells PubMed: 24970887
Deposition date: 2012-08-02 Original release date: 2013-08-26
Authors: de Paula, Viviane; Gomes, Natalia; Lima, Luize; Miyamoto, Catarina; Monteiro, Robson; Almeida, Fabio; Valente, Ana Paula
Citation: De Paula, Viviane; Pomin, Vitor; Valente, Ana Paula. "Unique properties of human beta-defensin 6 (hBD6) and glycosaminoglycan complex: sandwich-like dimerization and competition with the chemokine receptor 2 (CCR2) binding site" J. Biol. Chem. 289, 22969-22979 (2014).
Assembly members:
human beta-defensin 6, polymer, 45 residues, 5030.929 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):
human beta-defensin 6: FFDEKCNKLKGTCKNNCGKN
EELIALCQKSLKCCRTIQPS
GSIID
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 183 |
| 15N chemical shifts | 47 |
| 1H chemical shifts | 284 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | human beta-defensin 6 | 1 |
Entities:
Entity 1, human beta-defensin 6 45 residues - 5030.929 Da.
| 1 | PHE | PHE | ASP | GLU | LYS | CYS | ASN | LYS | LEU | LYS | ||||
| 2 | GLY | THR | CYS | LYS | ASN | ASN | CYS | GLY | LYS | ASN | ||||
| 3 | GLU | GLU | LEU | ILE | ALA | LEU | CYS | GLN | LYS | SER | ||||
| 4 | LEU | LYS | CYS | CYS | ARG | THR | ILE | GLN | PRO | SER | ||||
| 5 | GLY | SER | ILE | ILE | ASP |
Samples:
sample_1: human beta-defensin 6, [U-99% 13C; U-99% 15N], 0.6 mM; sodium phosphate0.2 – 0.6 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 5 mM; pH: 5.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA, G??ntert P. - refinement
NMR spectrometers:
- Bruker Avance 800 MHz
- Bruker DRX 600 MHz
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