BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 25609

Title: NMR solution structure of RsAFP2   PubMed: 26592804

Deposition date: 2015-05-12 Original release date: 2016-05-23

Authors: Harvey, Peta; Craik, David; Vriens, Kim

Citation: Vriens, Kim; Cools, Tanne; Harvey, Peta; Craik, David; DeConinck, Barbara; Cammue, Bruno; Thevissen, Karin. "The radish defensins RsAFP1 and RsAFP2 act synergistically with caspofungin against Candida albicans biofilms"  peptides 75, 71-79 (2016).

Assembly members:
entity, polymer, 51 residues, 5744.706 Da.

Natural source:   Common Name: radish   Taxonomy ID: 3726   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Raphanus sativus

Experimental source:   Production method: recombinant technology   Host organism: Pichia pastoris

Entity Sequences (FASTA):
entity: QKLCQRPSGTWSGVCGNNNA CKNQCIRLEKARHGSCNYVF PAHKCICYFPC

Data sets:
Data typeCount
13C chemical shifts142
15N chemical shifts51
1H chemical shifts347

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity1

Entities:

Entity 1, entity 51 residues - 5744.706 Da.

1   GLNLYSLEUCYSGLNARGPROSERGLYTHR
2   TRPSERGLYVALCYSGLYASNASNASNALA
3   CYSLYSASNGLNCYSILEARGLEUGLULYS
4   ALAARGHISGLYSERCYSASNTYRVALPHE
5   PROALAHISLYSCYSILECYSTYRPHEPRO
6   CYS

Samples:

sample_1: entity 1 mM; H2O 90%; D2O, [U-2H], 10%

sample_2: entity 1 mM; D2O, [U-2H], 100%

sample_conditions_1: pH: 4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
2D E-COSYsample_2isotropicsample_conditions_1

Software:

TOPSPIN v2.1, Bruker Biospin - collection

CcpNMR, CCPN - chemical shift assignment, peak picking

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

NMR spectrometers:

  • Bruker Avance 600 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts