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 18705

Title: Solution Structure of the Antimicrobial Peptide Human Defensin 5   PubMed: 23163963

Deposition date: 2012-09-10 Original release date: 2012-11-27

Authors: Wommack, Andrew; Robson, Scott; Wanniarahchi, Yoshitha; Wan, Andrea; Turner, Christopher; Nolan, Elizabeth

Citation: Wommack, Andrew; Robson, Scott; Wanniarachchi, Yoshitha; Wan, Andrea; Turner, Christopher; Wagner, Gerhard; Nolan, Elizabeth. "NMR solution structure and condition-dependent oligomerization of the antimicrobial peptide human defensin 5."  Biochemistry 51, 9624-9637 (2012).

Assembly members:
entity, polymer, 32 residues, 3594.227 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: ATCYCRTGRCATRESLSGVC EISGRLYRLCCR

Data sets:
Data typeCount
13C chemical shifts192
15N chemical shifts54
1H chemical shifts364

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1Antimicrobial Peptide Human Defensin 51

Entities:

Entity 1, Antimicrobial Peptide Human Defensin 5 32 residues - 3594.227 Da.

1   ALATHRCYSTYRCYSARGTHRGLYARGCYS
2   ALATHRARGGLUSERLEUSERGLYVALCYS
3   GLUILESERGLYARGLEUTYRARGLEUCYS
4   CYSARG

Samples:

sample_1: TFA0 – 1 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.4 mM; pH: 4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D HCACOsample_1isotropicsample_conditions_1

Software:

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

BMRB 19693
PDB
EMBL CCD28566
GB AAA35754 AAH69690 AAI07080 AAT68886 ADQ32910
REF NP_066290
SP Q01523

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