BMRB Entry 18043
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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/BMR18043
MolProbity Validation Chart
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NMR-STAR v3 text file.
XML gzip file.
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Citation: Nygaard, Mads; Andersen, Anders; Kristensen, Hans-Henrik; Krogfelt, Karen; Fojan, Peter; Wimmer, Reinhard. "The insect defensin lucifensin from Lucilia sericata" J. Biomol. NMR 52, 277-282 (2012).
PubMed: 22322867
Assembly members:
lucifensin, polymer, 40 residues, 4129.809 Da.
Natural source: Common Name: Sheep blowfly Taxonomy ID: 13632 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Lucilia sericata
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET32a(+)
Entity Sequences (FASTA):
lucifensin: ATCDLLSGTGVKHSACAAHC
LLRGNRGGYCNGRAICVCRN
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 92 |
| 1H chemical shifts | 238 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | lucifensin | 1 |
Entities:
Entity 1, lucifensin 40 residues - 4129.809 Da.
| 1 | ALA | THR | CYS | ASP | LEU | LEU | SER | GLY | THR | GLY | |
| 2 | VAL | LYS | HIS | SER | ALA | CYS | ALA | ALA | HIS | CYS | |
| 3 | LEU | LEU | ARG | GLY | ASN | ARG | GLY | GLY | TYR | CYS | |
| 4 | ASN | GLY | ARG | ALA | ILE | CYS | VAL | CYS | ARG | ASN |
Samples:
lucifensin_pH5: lucifensin 2 mM; potassium phosphate 10 mM; D2O 5%; TSP 15 uM; H2O 95%
pH5_25dg: pH: 5.0; pressure: 1 atm; temperature: 298.15 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | lucifensin_pH5 | isotropic | pH5_25dg |
| 2D 1H-1H NOESY | lucifensin_pH5 | isotropic | pH5_25dg |
| 2D DQF-COSY | lucifensin_pH5 | isotropic | pH5_25dg |
| 2D 1H-13C HSQC | lucifensin_pH5 | isotropic | pH5_25dg |
| 2D 1H-13C HSQC aromatic | lucifensin_pH5 | isotropic | pH5_25dg |
Software:
TOPSPIN v2.1, Bruker Biospin - collection, processing
CARA v1.8.4, Keller and Wuthrich - chemical shift assignment, data analysis, peak picking
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - geometry optimization, structure solution
TALOS+, Cornilescu, Delaglio and Bax - geometry optimization
YASARA v11.5.21, Elmar Krieger - refinement
ProcheckNMR, Laskowski and MacArthur - structure validation
NMR spectrometers:
- Bruker Avance 800 MHz
- Bruker DRX 600 MHz