BMRB Entry 19856

Title:
Structure of a peptoid analogue of maculatin G15 in DPC micelles
Deposition date:
2014-03-15
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_1, polymer, 22 residues, 2001.407 Da.
UNKNOWN ATOM OR ION, non-polymer, 0.000 Da.

Natural source:

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

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 genimaculata

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GLFGVLAKVAXHVVGAIAEH FX

Data sets:
Data typeCount
13C chemical shifts68
1H chemical shifts148

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2UNKNOWN ATOM OR ION2

Entities:

Entity 1, entity_1 22 residues - 2001.407 Da.

1   GLYLEUPHEGLYVALLEUALALYSVALALA
2   I4GHISVALVALGLYALAILEALAGLUHIS
3   PHENH2

Entity 2, UNKNOWN ATOM OR ION - 0.000 Da.

1   UNX

Samples:

sample_1: entity_1 3 mM; sodium azide 2 mM; DPC, [U-2H], 150 mM; potassium phosphate 10 mM; H2O 95%; D2O, [U-100% 2H], 5%

sample_2: entity_1 3 mM; sodium azide 2 mM; DPC, [U-2H], 150 mM; potassium phosphate 10 mM; Gd(DTPA-BMA)2 – 10 mM; H2O 95%; D2O, [U-100% 2H], 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
pseudo-3D-inversion recovery weighted NOESYsample_2isotropicsample_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:

PDB