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 20078

Title: Solution Structure of Antimicrobial Peptide Hedistin   PubMed: 19819221

Authors: Xu, Guohua; Cui, Yanfang

Citation: Xu, Guohua; Wu, Min; Wang, Lin; Zhang, Xu; Cao, Shufen; Liu, Maili; Cui, Yanfang. "Conformational and dynamics simulation study of antimicrobial peptide hedistin-heterogeneity of its helix-turn-helix motif."  Biochim. Biophys. Acta, Biomembr. 1788, 2497-2508 (2009).

Assembly members:
HEDISTIN, polymer, 22 residues, 2366 Da.

Natural source:   Common Name: segmented worms   Taxonomy ID: 6352   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Neanthes diversicolor

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):
HEDISTIN: LGAWLAGKVAGTVATYAWNR YV

Data sets:
Data typeCount
1H chemical shifts156
conformer coordinate sets1

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1HEDISTIN1

Entities:

Entity 1, HEDISTIN 22 residues - 2366 Da.

1   LEUGLYALATRPLEUALAGLYLYSVALALA
2   GLYTHRVALALATHRTYRALATRPASNARG
3   TYRVAL

Samples:

sample_1: HEDISTIN 2 mM; DPC, [U-100% 2H], 140 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 5.2; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H COSYsample_1isotropicsample_conditions_1

Software:

X-PLOR NIH vv2.19, Schwieters, Kuszewski, Tjandra and Clore - structure solution

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY, Goddard - chemical shift assignment

ProcheckNMR, Laskowski and MacArthur - data analysis

Molmol, Koradi, Billeter and Wuthrich - data analysis

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

GB ABE01865