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 34060

Title: NMR solution structure of Harzianin HK-VI in DPC micelles

Deposition date: 2016-11-02 Original release date: 2018-02-23

Authors: Kara, S.; Zamora-Carreras, H.; Afonin, S.; Grage, S.; Ulrich, A.; Jimenez, M.

Citation: Kara, S.; Afonin, S.; Zamora-Carreras, H.; Bordessa, A.; Doan, V.; Takeshita, N.; Grage, S.; Chaume, G.; Jimenez, M.; Fischer, R.; Bruix, M.; Brigaud, T.; Ulrich, A.; Rebuffat, S.; Hlimi, S.; Prigent, Y.; Goulard, C.; Bodo, B.. "11-mer peptaibol Harzianin VI: conformational and biological analysis"  . ., .-..

Assembly members:
entity_1, polymer, 12 residues, 1159.505 Da.

Natural source:   Common Name: Trichoderma pseudokoningii   Taxonomy ID: 317029   Superkingdom: Eukaryota   Kingdom: Fungi   Genus/species: Trichoderma pseudokoningii

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: XXNIIXPLLXPX

Data sets:
Data typeCount
13C chemical shifts41
1H chemical shifts101

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 12 residues - 1159.505 Da.

1   ACEAIBASNILEILEAIBPROLEULEUAIB
2   PRODCL

Samples:

sample_1: D2O, U-99% 2H, 10%; DPC, U-98% 2H, 185 mM; DSS 0.1 mM; H2O 90%; Harzianin HK VI 0.9 mM

sample_conditions_1: ionic strength: 0 mM; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H COSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure calculation

Molmol, Koradi, Billeter and Wuthrich - data analysis

SPARKY, Goddard - chemical shift assignment

TALOS+, Cornilescu, Delaglio and Bax - data analysis

TOPSPIN, Bruker Biospin - collection, processing

NMR spectrometers:

  • Bruker Avance 600 MHz