BMRB Entry 18463
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18463
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Title: Eurocin solution structure PubMed: 23093408
Deposition date: 2012-05-15 Original release date: 2012-10-29
Authors: Oeemig, Jesper; Lynggaard, Carina; Knudsen, Daniel; Hansen, Frederik; Noergaard, Kent; Schneider, Tanja; Vad, Brian; Neve, Soeren; Kristensen, Hans-Henrik; Sahl, Hans-Georg; Otzen, Daniel; Wimmer, Reinhard
Citation: Oeemig, Jesper; Lynggaard, Carina; Knudsen, Daniel; Hansen, Frederik; Nrgaard, Kent; Schneider, Tanja; Vad, Brian; Sandvang, Dorthe; Nielsen, Line; Neve, Sren; Kristensen, Hans-Henrik; Sahl, Hans-Georg; Otzen, Daniel; Wimmer, Reinhard. "Eurocin, a new fungal defensin: structure, lipid binding, and its mode of action." J. Biol. Chem. 287, 42361-42372 (2012).
Assembly members:
Eurocin, polymer, 42 residues, 4348.852 Da.
Natural source: Common Name: Ascomycetes Taxonomy ID: 5054 Superkingdom: Eukaryota Kingdom: Fungi Genus/species: Eurotium amstelodami
Experimental source: Production method: recombinant technology Host organism: Aspergillus oryzae
Entity Sequences (FASTA):
Eurocin: GFGCPGDAYQCSEHCRALGG
GRTGGYCAGPWYLGHPTCTC
SF
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 91 |
| 15N chemical shifts | 6 |
| 1H chemical shifts | 212 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Eurocin | 1 |
Entities:
Entity 1, Eurocin 42 residues - 4348.852 Da.
| 1 | GLY | PHE | GLY | CYS | PRO | GLY | ASP | ALA | TYR | GLN | ||||
| 2 | CYS | SER | GLU | HIS | CYS | ARG | ALA | LEU | GLY | GLY | ||||
| 3 | GLY | ARG | THR | GLY | GLY | TYR | CYS | ALA | GLY | PRO | ||||
| 4 | TRP | TYR | LEU | GLY | HIS | PRO | THR | CYS | THR | CYS | ||||
| 5 | SER | PHE |
Samples:
sample_1: Eurocin 1.68 mM; formic acid 95 mM; H2O 95%; D2O 5%
sample_conditions_1: pH: 4.5; 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 aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
XEASY v1.5.5, Bartels et al. - chemical shift assignment
TOPSPIN v1.3, Bruker Biospin - collection
YASARA v12.1.19, Dr. Elmar Krieger - refinement
ProcheckNMR, Laskowski and MacArthur - Structure validation
NMR spectrometers:
- Bruker DRX 600 MHz
Related Database Links:
| PDB |
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