Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 50635

Title: NMR data of gallium binding peptide C3.15 (without gallium)   PubMed: 33876023

Deposition date: 2020-12-09 Original release date: 2021-05-27

Authors: Lanikova, Alice; Zidek, Lukas

Citation: Taylor, Corey; Shonberger, Nora; Lanikova, Alice; Patzschke, Michael; Drobot, Bjorn; Zidek, Lukas; Lederer, Franziska. "Investigation of the structure and dynamics of Gallium binding to high-affinity peptides elucidated by multi-scale simulation, quantum chemistry, NMR and ITC"  Phys. Chem. Chem. Phys. 23, 8618-8632 (2021).

Assembly members:
entity_1, polymer, 13 residues, Formula weight is not available

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Data sets:
Data typeCount
13C chemical shifts23
1H chemical shifts80

Additional metadata:

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


Entity Assembly IDEntity NameEntity ID
1C3.15 peptide1


Entity 1, C3.15 peptide 13 residues - Formula weight is not available



sample_1: sodium azide 0.02%; sodium chloride 150 mM; TFA 0.5 mM; peptide 0.5 mM; D2O 10%

sample_conditions_1: pH: 3; pressure: 1 atm; temperature: 298 K


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


NMRPipe - processing

NMRFAM-SPARKY - chemical shift assignment, data analysis

TOPSPIN - collection

NMR spectrometers:

  • Bruker AVANCE III 600 MHz
  • Bruker AVANCE III 850 MHz
  • Bruker AVANCE III 950 MHz