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 25605

Title: NMR solution structure of HsAFP1   PubMed: 26248029

Deposition date: 2015-05-12 Original release date: 2015-07-20

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

Citation: Vriens, Kim; Cools, Tanne; Harvey, Peta; Craik, David; Spincemaille, Pieter; Cassiman, David; Braem, Annabel; Vleugels, Jozef; Nibbering, Peter; Drijfhout, Jan; Coninck, Barbara; Cammue, Bruno; Thevissen, Karin. "Synergistic activity of the plant defensins HsAFP1 and caspofungin against Candida albicans biofilms and planktonic cultures"  PLOS One 10, e0132701-e0132701 (2015).

Assembly members:
entity, polymer, 54 residues, 5958.770 Da.

Natural source:   Common Name: coralbells   Taxonomy ID: 43368   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Heuchera sanguinea

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

Entity Sequences (FASTA):
entity: DGVKLCDVPSGTWSGHCGSS SKCSQQCKDREHFAYGGACH YQFPSVKCFCKRQC

Data sets:
Data typeCount
13C chemical shifts99
15N chemical shifts39
1H chemical shifts337

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity1

Entities:

Entity 1, entity 54 residues - 5958.770 Da.

1   ASPGLYVALLYSLEUCYSASPVALPROSER
2   GLYTHRTRPSERGLYHISCYSGLYSERSER
3   SERLYSCYSSERGLNGLNCYSLYSASPARG
4   GLUHISPHEALATYRGLYGLYALACYSHIS
5   TYRGLNPHEPROSERVALLYSCYSPHECYS
6   LYSARGGLNCYS

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, processing

CCPNmr, CCPN - chemical shift assignment, peak picking

CYANA, Guntert, Mumenthaler and Wuthrich - refinement

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