BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 18634

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

Data sets:
Data typeCount
13C chemical shifts183
15N chemical shifts47
1H chemical shifts284

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1human beta-defensin 61

Entities:

Entity 1, human beta-defensin 6 45 residues - 5030.929 Da.

1   PHEPHEASPGLULYSCYSASNLYSLEULYS
2   GLYTHRCYSLYSASNASNCYSGLYLYSASN
3   GLUGLULEUILEALALEUCYSGLNLYSSER
4   LEULYSCYSCYSARGTHRILEGLNPROSER
5   GLYSERILEILEASP

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:

NameSampleSample stateSample conditions
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

CYANA, G??ntert P. - refinement

NMR spectrometers:

  • Bruker Avance 800 MHz
  • Bruker DRX 600 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts