BMRB Entry 19882

Title:
NMR structure of a peptoid analogue of maculatin G15 containing cis-Nleu at position 13
Deposition date:
2014-03-29
Original release date:
2014-07-16
Authors:
Uggerhoej, Lars; Guentert, Peter; Wimmer, Reinhard
Citation:

Citation: Uggerhoej, Lars; Munk, Jens; Hansen, Paul; Guentert, Peter; Wimmer, Reinhard. "Structural features of peptoid-peptide hybrids in lipid-water interfaces"  .

Assembly members:

Assembly members:
entity, polymer, 22 residues, 1989.375 Da.

Natural source:

Natural source:   Common Name: brown-spotted treefrog   Taxonomy ID: 95132   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Litoria genimacula

Experimental source:   Production method: chemical synthesis

Experimental source:

Natural source:   Common Name: brown-spotted treefrog   Taxonomy ID: 95132   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Litoria genimacula

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: GLFGVLAKVAAHXVGAIAEH FX

Data sets:
Data typeCount
13C chemical shifts50
1H chemical shifts132

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity1

Entities:

Entity 1, entity 22 residues - 1989.375 Da.

1   GLYLEUPHEGLYVALLEUALALYSVALALA
2   ALAHISI4GVALGLYALAILEALAGLUHIS
3   PHENH2

Samples:

sample_1: entity_1 3 mM; sodium azide 2 mM; SDS, [U-2H], 150 mM; potassium phosphate 10 mM; H2O 95%; D2O 5%

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 310.1 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H COSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1

Software:

TOPSPIN v1.3, Bruker Biospin - collection, processing

CARA v1.8.4, Keller and Wuthrich - chemical shift assignment, data analysis

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

TALOS+, Shen, Cornilescu, Delaglio and Bax - torsion angle constraints from chemical shifts

NMR spectrometers:

  • Bruker Avance 900 MHz
  • Bruker DRX 600 MHz

Related Database Links:

BMRB 19883
PDB