BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 16817

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

Data sets:
Data typeCount
15N chemical shifts47
1H chemical shifts297

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1dermcidin-1L1

Entities:

Entity 1, dermcidin-1L 48 residues - 4826.549 Da.

1   SERSERLEULEUGLULYSGLYLEUASPGLY
2   ALALYSLYSALAVALGLYGLYLEUGLYLYS
3   LEUGLYLYSASPALAVALGLUASPLEUGLU
4   SERVALGLYLYSGLYALAVALHISASPVAL
5   LYSASPVALLEUASPSERVALLEU

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:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_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

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