BMRB Entry 16819
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16819
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Title: The solution structure of the dimeric culbertcidin
Deposition date: 2010-04-01 Original release date: 2012-08-03
Authors: Michalek, Matthias; Wechselberger, Rainer; Soennichsen, Frank; Dingley, Andrew; Wienk, Hans; Simanski, Maren; Herbst, Rosa; Lorenzen, Inken; Gelhaus, Christoph; Gr tzinger, Joachim; Leippe, Matthias
Citation: Michalek, Matthias; Wechselberger, Rainer; Soennichsen, Frank; Dingley, Andrew; Wienk, Hans; Simanski, Maren; Herbst, Rosa; Lorenzen, Inken; Gelhaus, Christoph; Gr tzinger, Joachim; Leippe, Matthias. "Solution structure of the culberticidin dimer" Not known ., .-..
Assembly members:
culbertcidin, polymer, 122 residues, 6054.9 Da.
Natural source: Common Name: Acanthamoeba culbertsoni Taxonomy ID: 43142 Superkingdom: Eukaryota Kingdom: not available Genus/species: Acanthamoeba culbertsoni
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
culbertcidin: AMGKCSVLKKVACAAAIAGA
VAACGGIDLPCVLAALKAAE
GCASCFCEDHCHGVCKDLHL
CAMGKCSVLKKVACAAAIAG
AVAACGGIDLPCVLAALKAA
EGCASCFCEDHCHGVCKDLH
LC
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 15N chemical shifts | 43 |
| 1H chemical shifts | 220 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | monomer1 | 1 |
| 2 | monomer2 | 1 |
Entities:
Entity 1, monomer1 122 residues - 6054.9 Da.
| 1 | ALA | MET | GLY | LYS | CYS | SER | VAL | LEU | LYS | LYS | ||||
| 2 | VAL | ALA | CYS | ALA | ALA | ALA | ILE | ALA | GLY | ALA | ||||
| 3 | VAL | ALA | ALA | CYS | GLY | GLY | ILE | ASP | LEU | PRO | ||||
| 4 | CYS | VAL | LEU | ALA | ALA | LEU | LYS | ALA | ALA | GLU | ||||
| 5 | GLY | CYS | ALA | SER | CYS | PHE | CYS | GLU | ASP | HIS | ||||
| 6 | CYS | HIS | GLY | VAL | CYS | LYS | ASP | LEU | HIS | LEU | ||||
| 7 | CYS | ALA | MET | GLY | LYS | CYS | SER | VAL | LEU | LYS | ||||
| 8 | LYS | VAL | ALA | CYS | ALA | ALA | ALA | ILE | ALA | GLY | ||||
| 9 | ALA | VAL | ALA | ALA | CYS | GLY | GLY | ILE | ASP | LEU | ||||
| 10 | PRO | CYS | VAL | LEU | ALA | ALA | LEU | LYS | ALA | ALA | ||||
| 11 | GLU | GLY | CYS | ALA | SER | CYS | PHE | CYS | GLU | ASP | ||||
| 12 | HIS | CYS | HIS | GLY | VAL | CYS | LYS | ASP | LEU | HIS | ||||
| 13 | LEU | CYS |
Samples:
sample_1: monomer1, [U-100% 15N], 1 mM; monomer2, [U-100% 15N], 1 mM; H2O 93%; D2O 7%; sodium-tris 20 mM
sample_conditions_1: ionic strength: 0.025 M; pH: 8.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
DIANA v2.1, Guntert, Braun and Wuthrich - refinement, structure solution
NMRPipe v2.1, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRView, Johnson, One Moon Scientific - chemical shift assignment, data analysis
NMR spectrometers:
- Bruker Avance 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts