BMRB Entry 34066
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34066
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: NMR solution structure of Harzianin HK-VI in trifluoroethanol
Deposition date: 2016-11-17 Original release date: 2018-06-07
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.; Goulard, C.; Prigent, Y.; Bodo, B.; Hlimi, S.. "11-mer peptaibol Harzianin HK-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 | 43 |
| 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: DSS 0.2 mM; Harzianin HK-VI 1.9 mM; TFE, [U-99% 2H], 100%
sample_conditions_1: ionic strength: 0 mM; 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, Guntert, Mumenthaler and Wuthrich - structure calculation
SPARKY, Goddard - chemical shift assignment, data analysis
TOPSPIN, Bruker Biospin - collection, processing
NMR spectrometers:
- Bruker Avance 600 MHz