BMRB Entry 31051

Title:
Backbone modifications in the inter-helix loop of designed miniprotein oPPalpha: deltaOrn10-11 turn
Deposition date:
2022-10-13
Original release date:
2023-03-28
Authors:
Harmon, T.; Horne, W.
Citation:

Citation: Harmon, T.; Horne, W.. "Protein Backbone Alteration in Non-Hairpin beta-Turns: Impacts on Tertiary Folded Structure and Folded Stability"  Chembiochem 24, e202300113-e202300113 (2023).
PubMed: 36920327

Assembly members:

Assembly members:
entity_1, polymer, 35 residues, 3676.303 Da.

Natural source:

Natural source:   Common Name: Streptococcus mutans   Taxonomy ID: 1309   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Streptococcus Streptococcus mutans

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: XPPKKPKKPGXATPEKLAAY EKELAAYEKELAAYX

Data sets:
Data typeCount
1H chemical shifts246

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 35 residues - 3676.303 Da.

1   ACEPROPROLYSLYSPROLYSLYSPROGLY
2   ORNALATHRPROGLULYSLEUALAALATYR
3   GLULYSGLULEUALAALATYRGLULYSGLU
4   LEUALAALATYRNH2

Samples:

sample_1: Designed miniprotein oPPalpha: deltaOrn10-11 turn 3.3 mM; DSS 0.2 mM; sodium phosphate 8.2 mM; potassium phosphate 1.8 mM; sodium chloride 137 mM; potassium chloride 2.7 mM

sample_conditions_1: ionic strength: 163 mM; pH: 7.4 pH*; pressure: 1 atm; temperature: 278 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H COSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1

Software:

TopSpin, Bruker Biospin - processing

NMRFAM-SPARKY, Lee, Tonelli, Markley - data analysis

ARIA, Linge, O'Donoghue and Nilges - refinement, structure calculation

NMR spectrometers:

  • Bruker AVANCE 700 MHz