BMRB

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 30448

Title: HRFLRH peptide NMR structure in the presence of CO2   PubMed: 29933027

Deposition date: 2018-04-03 Original release date: 2018-06-26

Authors: Pires, D.; Arake, L.; Silva, L.; Lopez-Castillo, A.; Prates, M.; Nascimento, C.; Bloch Jr, C.

Citation: Pires, D.; Arake, L.; Silva, L.; Lopez-Castillo, A.; Prates, M.; Nascimento, C.; Bloch Jr, C.. "A Previously Undescribed Hexapeptide His-Arg-Phe-Leu-Arg-His-NH2 From Amphibian Skin Secretion shows CO2 and Metal Biding Affinities"  Peptides 106, 37-44 (2018).

Assembly members:
entity_1, polymer, 7 residues, 867.036 Da.

Natural source:   Common Name: Mato Grosso leaf frog   Taxonomy ID: 536631   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Phyllomedusa centralis

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: HRFLRHX

Data sets:
Data typeCount
13C chemical shifts28
1H chemical shifts48

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 7 residues - 867.036 Da.

1   HISARGPHELEUARGHISNH2

Samples:

sample_1: HIS-ARG-PHE-LEU-ARG-HIS, [U-13C], 2 mM; CO2 2 v/v

sample_conditions_1: ionic strength: 2 mM; pH: 4.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure calculation

NMRView, Johnson, One Moon Scientific - chemical shift assignment

NMR spectrometers:

  • Bruker AvanceIII 800 MHz