BMRB Entry 34060
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34060
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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
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 41 |
| 1H chemical shifts | 101 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 12 residues - 1159.505 Da.
| 1 | ACE | AIB | ASN | ILE | ILE | AIB | PRO | LEU | LEU | AIB | ||||
| 2 | PRO | DCL |
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:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_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