BMRB Entry 16739
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16739
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: 1H, 13C, and 15N Chemical Shift Assignments for plectasin PubMed: 20508130
Deposition date: 2010-02-20 Original release date: 2010-06-01
Authors: Schneider, Tanja; Kruse, Thomas; Wimmer, Reinhard; Wiedemann, Imke; Sass, Vera; Pag, Ulrike; Jansen, Andrea; Nielsen, Allan; Mygind, Per; Raventos, Dorotea; Neve, Soeren; Ravn, Birthe; Bonvin, Alexandre; De Maria, Leonardo; Kamenova, Lora; Sahl, Hans-Georg; Kristensen, Hans-Henrik
Citation: Schneider, Tanja; Kruse, Thomas; Wimmer, Reinhard; Wiedemann, Imke; Sass, Vera; Pag, Ulrike; Jansen, Andrea; Nielsen, Allan; Mygind, Per; Raventos, Dorotea; Neve, Sren; Ravn, Birthe; Bonvin, Alexandre; De Maria, Leonardo; Andersen, Anders; Gammelgaard, Lora; Sahl, Hans-Georg; Kristensen, Hans-Henrik. "Plectasin, a Fungal Defensin, Targets the Bacterial Cell Wall Precursor Lipid II." Science 328, 1168-1172 (2010).
Assembly members:
plectasin, polymer, 40 residues, Formula weight is not available
Natural source: Common Name: Pseudoplectania nigrella Taxonomy ID: 96584 Superkingdom: Eukaryota Kingdom: Fungi Genus/species: Pseudoplectania nigrella
Experimental source: Production method: recombinant technology Host organism: Aspergillus oryzae
Entity Sequences (FASTA):
plectasin: GFGCNGPWDEDDMQCHNHCK
SIKGYKGGYCAKGGFVCKCY
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 148 |
15N chemical shifts | 42 |
1H chemical shifts | 207 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | plectasin | 1 |
Entities:
Entity 1, plectasin 40 residues - Formula weight is not available
1 | GLY | PHE | GLY | CYS | ASN | GLY | PRO | TRP | ASP | GLU | |
2 | ASP | ASP | MET | GLN | CYS | HIS | ASN | HIS | CYS | LYS | |
3 | SER | ILE | LYS | GLY | TYR | LYS | GLY | GLY | TYR | CYS | |
4 | ALA | LYS | GLY | GLY | PHE | VAL | CYS | LYS | CYS | TYR |
Samples:
sample_1: plectasin 1.12 mM; DSS 1.7 mM; citric acid 1.8 mM; H2O 95%; D2O 5%
sample_conditions_1: pH: 4.28; pressure: 1 atm; temperature: 298.1 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
3D HNCO | sample_1 | isotropic | sample_conditions_1 |
3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
3D HCCH-COSY | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v1.3 and 2.1, Bruker Biospin, Keller and Wuthrich - chemical shift assignment, collection, data analysis
NMR spectrometers:
- Bruker DRX 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts