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 25631

Title: structure of ace-pvhct-nh2   PubMed: 26708991

Deposition date: 2015-05-19 Original release date: 2015-06-15

Authors: petit, vanessa; rolland, jean-luc; blond, alain; djediat, chakib; peduzzi, jean; goulard, christophe; bachere, evelyne; dupont, joelle; destoumieux-garzon, delphine; rebuffat, sylvie

Citation: Petit, Vanessa; Rolland, Jean-luc; Blond, Alain; Djediat, Chakib; Peduzzi, Jean; Goulard, Christophe; Bachere, Evelyne; Dupont, Joelle; Destoumieux-garzon, Delphine; Rebuffat, Sylvie. "A hemocyanin-derived antimicrobial peptide from the penaeid shrimp adopts an alpha-helical structure that specifically permeabilizes fungal membranes"  Biochim. Biophys. Acta 1860, 557-568 (2016).

Assembly members:
entity_1, polymer, 25 residues, 2756.093 Da.

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):
entity_1: XFEDLPNFGHIQVKVFNHGE HIHHX

Data sets:
Data typeCount
1H chemical shifts154

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 25 residues - 2756.093 Da.

1   ACEPHEGLUASPLEUPROASNPHEGLYHIS
2   ILEGLNVALLYSVALPHEASNHISGLYGLU
3   HISILEHISHISNH2

Samples:

sample_1: methanol, [U-99% 2H], 3.5 mM; entity_1 3.5 mM

sample_conditions_1: pressure: 1 atm; temperature: 303 K

Experiments:

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

Software:

xwinnmr v3.1, Bruker Biospin - chemical shift assignment, processing

TOPSPIN v3.2, Bruker Biospin - chemical shift assignment, processing

AURELIA v3.8, Neidig, Geyer, Gorler, Antz, Saffrich, Beneicke, Kalbitzer - data analysis, peak picking

X-PLOR v3.851, Brunger - refinement

NMR spectrometers:

  • Bruker Avance 400 MHz