BMRB Entry 34634

Title:
NMR Solution Structure of Peptide 12: First-in-class cyclic Temporin L analogue with antibacterial and antibiofilm activities
Deposition date:
2021-06-08
Original release date:
2021-08-03
Authors:
Brancaccio, D.; Carotenuto, A.
Citation:

Citation: Bellavita, Rosa; Casciaro, Bruno; Di Maro, Salvatore; Brancaccio, Diego; Carotenuto, Alfonso; Falanga, Annarita; Cappiello, Floriana; Buommino, Elisabetta; Galdiero, Stefania; Novellino, Ettore; Grossmann, Tom; Mangoni, Maria Luisa; Merlino, Francesco; Grieco, Paolo. "First-in-Class Cyclic Temporin L Analogue: Design, Synthesis, and Antimicrobial Assessment"  J. Med. Chem. 64, 11675-11694 (2021).
PubMed: 34296619

Assembly members:

Assembly members:
entity_1, polymer, 14 residues, 1724.140 Da.

Natural source:

Natural source:   Common Name: common frog   Taxonomy ID: 8407   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Rana temporaria

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: FVPWFKKFXERILX

Data sets:
Data typeCount
1H chemical shifts120

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 14 residues - 1724.140 Da.

1   PHEVALPROTRPPHELYSLYSPHEDLEGLU
2   ARGILELEUNH2

Samples:

sample_1: PHE-VAL-PRO-TRP-PHE-LYS-LYS-PHE-DLE-GLU-ARG-ILE-LEU-NH2 2.0 mM; SDS, d-25, 180 mM; DPC, d-38, 20 mM

sample_conditions_1: ionic strength: 0.0 mM; pH: 5.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
1D 1Hsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H COSYsample_1isotropicsample_conditions_1

Software:

Insight II, Accelrys Software Inc. - refinement

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

XEASY, Bartels et al. - chemical shift assignment, peak picking

TopSpin, Bruker Biospin - collection, processing

NMR spectrometers:

  • Bruker AVANCE NEO 700 MHz