BMRB Entry 36098

Title:
EFK17DA structure in Microgel MAA60
Deposition date:
2017-06-10
Original release date:
2017-11-30
Authors:
Datta, A.; Bhunia, A.
Citation:

Citation: Singh, Shalini; Datta, Aritreyee; Borro, Bruno C; Davoudi, Mina; Schmidtchen, Artur; Bhunia, Anirban; Malmsten, Martin. "Conformational Aspects of High Content Packing of Antimicrobial Peptides in Polymer Microgels."  ACS Appl. Mater. Interfaces 9, 40094-40106 (2017).
PubMed: 29087182

Assembly members:

Assembly members:
Cathelicidin antimicrobial peptide, polymer, 17 residues, 2179.630 Da.

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Cathelicidin antimicrobial peptide: EFKRIVQRIKDFLRNLV

Data sets:
Data typeCount
1H chemical shifts132

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 17 residues - 2179.630 Da.

1   GLUPHELYSARGILEVALGLNARGILELYS
2   ASPPHELEUARGASNLEUVAL

Samples:

sample_1: EFK17DA 1 mM; Microgel MAA60 25 uM; TSP 0.8 mM; H2O 90%; D2O, [U-2H], 10%

sample_conditions_1: ionic strength: 0.0 mM; pH: 4.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H trNOESYsample_1isotropicsample_conditions_1

Software:

SPARKY v3.114, Goddard - chemical shift assignment

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

NMR spectrometers:

  • Bruker Ascend TM 800 MHz