BMRB Entry 30863

Title:
L-Phenylseptin
Deposition date:
2021-02-18
Original release date:
2022-11-28
Authors:
Munhoz, V.; Verly, R.
Citation:

Citation: Munhoz, V.; Verly, R.. "NMR structure of L-Phenylseptin in DPC-d38."  .

Assembly members:

Assembly members:
entity_1, polymer, 18 residues, 1957.316 Da.

Natural source:

Natural source:   Common Name: polka-dot treefrog   Taxonomy ID: 2499473   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Boana punctata

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: FFFDTLKNLAGKVIGALT

Data sets:
Data typeCount
13C chemical shifts37
1H chemical shifts102

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 18 residues - 1957.316 Da.

1   PHEPHEPHEASPTHRLEULYSASNLEUALA
2   GLYLYSVALILEGLYALALEUTHR

Samples:

sample_1: L-Phenylseptin 2 mM; Dodecylphosphocholine, [U-2H], 200 mM; DSS 5 uM

sample_conditions_1: ionic strength: 0 Not defined; pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1

Software:

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation

NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking

QUEEN, Nabuurs, Spronk, Krieger, Maassen, Vriend and Vuister - data analysis

NMR spectrometers:

  • Bruker AVANCE III 800 MHz