BMRB Entry 25749

Title:
C4VG16KRKP
Deposition date:
2015-08-11
Original release date:
2016-03-21
Authors:
Bhunia, Anirban; Datta, Aritreyee
Citation:

Citation: Datta, Aritreyee; Kundu, Pallob; Bhunia, Anirban. "Designing potent antimicrobial peptides by disulphide linked dimerization and N-terminal lipidation to increase antimicrobial activity and membrane perturbation: Structural insights into lipopolysaccharide binding"  J. Colloid. Interface Sci. 461, 335-345 (2016).
PubMed: 26407061

Assembly members:

Assembly members:
entity, polymer, 17 residues, 1896.363 Da.

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: XVARGWKRKCPLFGKGG

Data sets:
Data typeCount
1H chemical shifts101

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity1

Entities:

Entity 1, entity 17 residues - 1896.363 Da.

Residue 1 i.e. M corresponds to a 4 carbon long acyl chain (-CH2-CH2-CH2-CH3)

1   PTLVALALAARGGLYTRPLYSARGLYSCYS
2   PROLEUPHEGLYLYSGLYGLY

Samples:

sample_1: D2O 55.5 mM; H2O 55.5 mM; entity (C4VG16KRKP) 1 mM; TSP 0.5 mM

sample_conditions_1: ionic strength: 0 mM; pH: 4.5; pressure: 1 atm; temperature: 273 K

Experiments:

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

Software:

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

NMR spectrometers:

  • Bruker Avance 500 MHz