BMRB Entry 6217
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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/BMR6217
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
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Citation: Lee, K.; Shin, S.; Kim, K.; Lim, S.; Hahm, K.; Kim, Y.. "Antibiotic Activity and Structural Analysis of the Scorpion-derived Antimicrobial
peptide IsCT and Its Analogs" Biochem. Biophys. Res. Commun. 323, 712-719 (2004).
PubMed: 15369808
Assembly members:
IsCT, polymer, 13 residues, Formula weight is not available
NFA, non-polymer, 164.204 Da.
Natural source: Common Name: Scorpion Taxonomy ID: 167108 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Opisthacanthus madagascariensis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
IsCT: ILGKIWKPIKKLX
- coupling_constants
| Data type | Count |
| coupling constants | 8 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Cytotoxic linear peptide IsCT | 1 |
| 2 | NFA | 2 |
Entities:
Entity 1, Cytotoxic linear peptide IsCT 13 residues - Formula weight is not available
| 1 | ILE | LEU | GLY | LYS | ILE | TRP | LYS | PRO | ILE | LYS | ||||
| 2 | LYS | LEU | NFA |
Entity 2, NFA - C9 H12 N2 O - 164.204 Da.
| 1 | NFA |
Samples:
sample_1: IsCT 1.0 mM; SDS-d25 200 mM; H2O 90%; D2O 10%
sample_cond_1: pH: 4.0; pressure: 1 atm; temperature: 308 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | sample_1 | not available | sample_cond_1 |
| 2D TOCSY | sample_1 | not available | sample_cond_1 |
| DQF-COSY | sample_1 | not available | sample_cond_1 |
Software:
FELIX v2000.1 - processing
X-PLOR v3.851 - structure solution
DGII v2000.1 - refinement
NMR spectrometers:
- Bruker AVANCE 400 MHz