BMRB Entry 30333

Title:
Capped-strapped peptide
Deposition date:
2017-08-13
Original release date:
2018-02-15
Authors:
Wu, H.; Wu, Y.
Citation:

Citation: Wu, H.; Acharyya, A.; Wu, Y.; Liu, L.; Jo, H.; Gai, F.; DeGrado, W.. "Design of a Short Thermally Stable alpha-Helix Embedded in a Macrocycle"  Chembiochem 19, 902-906 (2018).
PubMed: 29417711

Assembly members:

Assembly members:
entity_1, polymer, 15 residues, 1445.716 Da.
entity_B0I, non-polymer, 182.261 Da.

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: 32630   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_1: XTPRQARAARAAXCX

Data sets:
Data typeCount
13C chemical shifts30
1H chemical shifts92

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_22

Entities:

Entity 1, entity_1 15 residues - 1445.716 Da.

1   H00THRPROARGGLNALAARGALAALAARG
2   ALAALADALCYSNH2

Entity 2, entity_2 - C14 H14 - 182.261 Da.

1   B0I

Samples:

sample_1: Capped-strapped peptide A37 0.6 mM

sample_conditions_1: ionic strength: 50 mM; pH: 4.0; pressure: 1 atm; temperature: 308 K

Experiments:

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

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - data analysis

SPARKY, Goddard - chemical shift assignment, peak picking

TALOS, Cornilescu, Delaglio and Bax - data analysis

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

NMR spectrometers:

  • Bruker AvanceII 900 MHz