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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR35008
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
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Citation: Laborde, Q.; Gunasekera, S.. "Structure of nermertea worm Lineus viridis nemertide peptide toxin
" .
Assembly members:
entity_1, polymer, 33 residues, 3605.118 Da.
Natural source: Common Name: Stryphnus fortis Taxonomy ID: 1006811 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Stryphnus fortis
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: GCNKAGAFCTKNNNCCPTKG
RNRGECTWAFKCD
| Data type | Count |
| 13C chemical shifts | 33 |
| 15N chemical shifts | 42 |
| 1H chemical shifts | 215 |
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entity 1, unit_1 33 residues - 3605.118 Da.
| 1 | GLY | CYS | ASN | LYS | ALA | GLY | ALA | PHE | CYS | THR | ||||
| 2 | LYS | ASN | ASN | ASN | CYS | CYS | PRO | THR | LYS | GLY | ||||
| 3 | ARG | ASN | ARG | GLY | GLU | CYS | THR | TRP | ALA | PHE | ||||
| 4 | LYS | CYS | ASP |
sample_1: Nermertide peptide 1 ± 0.2 mM
sample_2: Nermertide peptide 1 ± 0.2 mM
sample_3: Nermertide peptide 1 ± 0.2 mM
sample_4: Nermertide peptide 1 ± 0.2 mM
sample_5: Nermertide peptide 1 ± 0.2 mM
sample_conditions_1: ionic strength: 0 mM; pH: 4.5; pressure: 1 atm; temperature: 298 K
sample_conditions_2: ionic strength: 0 mM; pH: 4.5; pressure: 1 atm; temperature: 298 K
sample_conditions_3: ionic strength: 0 mM; pH: 4.5; pressure: 1 atm; temperature: 298 K
sample_conditions_4: ionic strength: 0 mM; pH: 4.5; pressure: 1 atm; temperature: 298 K
sample_conditions_5: ionic strength: 0 mM; pH: 4.5; pressure: 1 atm; temperature: 298 K
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-13C HSQC | sample_3 | isotropic | sample_conditions_3 |
| 2D 1H-15N HSQC | sample_4 | isotropic | sample_conditions_4 |
| 2D 1H-1H TOCSY_D2O | sample_5 | isotropic | sample_conditions_5 |
TopSpin, Bruker Biospin - collection
CYANA v3.98.15, Guntert, Mumenthaler and Wuthrich - structure calculation
CcpNmr Analysis, CCPN - data analysis
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks