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 30784

Title: NMR Solution Structure of plant defensin SlD26   PubMed: 32847065

Deposition date: 2020-08-04 Original release date: 2020-09-07

Authors: Harvey, P.; Craik, D.

Citation: Bleackley, M.; Vasa, S.; Harvey, P.; Shafee, T.; Kerenga, B.; Soares da Costa, T.; Craik, D.; Lowe, R.; Anderson, M.. "Histidine-Rich Defensins from theSolanaceaeandBrasicaceaeAre Antifungal and Metal Binding Proteins."  J. Fungi (Basel) 6, .-. (2020).

Assembly members:
entity_1, polymer, 46 residues, 5444.244 Da.

Natural source:   Common Name: Tomato   Taxonomy ID: 4081   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Solanum lycopersicum

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

Entity Sequences (FASTA):
entity_1: AKHCGKHSKSWNGKCFHKKC NHWCMEKEDAKYGSCSHGDC YCYYHC

Data sets:
Data typeCount
13C chemical shifts93
15N chemical shifts39
1H chemical shifts265

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 46 residues - 5444.244 Da.

1   ALALYSHISCYSGLYLYSHISSERLYSSER
2   TRPASNGLYLYSCYSPHEHISLYSLYSCYS
3   ASNHISTRPCYSMETGLULYSGLUASPALA
4   LYSTYRGLYSERCYSSERHISGLYASPCYS
5   TYRCYSTYRTYRHISCYS

Samples:

sample_1: peptide 1.0 mg/mL

sample_2: peptide 1.0 mg/mL

sample_conditions_1: pH: 4.0; 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 HSQC aliphaticsample_2isotropicsample_conditions_1
2D 1H-1H ECOSYsample_2isotropicsample_conditions_1

Software:

TopSpin, Bruker Biospin - processing

CcpNmr Analysis, CCPN - chemical shift assignment

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

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

NMR spectrometers:

  • Bruker AVANCE III HD 600 MHz

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