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 26063

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

Data sets:
Data typeCount
15N chemical shifts45
1H chemical shifts315

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity1

Entities:

Entity 1, entity 48 residues - 4826.549 Da.

1   SERSERLEULEUGLULYSGLYLEUASPGLY
2   ALALYSLYSALAVALGLYGLYLEUGLYLYS
3   LEUGLYLYSASPALAVALGLUASPLEUGLU
4   SERVALGLYLYSGLYALAVALHISASPVAL
5   LYSASPVALLEUASPSERVALLEU

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:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_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