BMRB Entry 17986
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17986
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Citation: CHAN, LAI YUE; ZHANG, MINQUAN; HUANG, YEN-HUA; WATERS, NORMAN; BANSAL, PARAMJIT; CRAIK, DAVID; DALY, NORELLE. "Cyclization of the antimicrobial Peptide gomesin with native chemical ligation: influences on stability and bioactivity" Chembiochem 14, 617-624 (2013).
PubMed: 23426877
Assembly members:
cyclic_gomesin, polymer, 18 residues, 2199.7 Da.
Natural source: Common Name: Spiders Taxonomy ID: 6896 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Aphonopelma not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
cyclic_gomesin: GCRRLCYKQRCVTYCRGR
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 105 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | cyclic gomesin | 1 |
Entities:
Entity 1, cyclic gomesin 18 residues - 2199.7 Da.
| 1 | GLY | CYS | ARG | ARG | LEU | CYS | TYR | LYS | GLN | ARG | ||||
| 2 | CYS | VAL | THR | TYR | CYS | ARG | GLY | ARG |
Samples:
sample_1: cyclic gomesin 1 mM; H2O 90%; D2O 10%
sample_conditions_1: pH: 5.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v2.1, Bruker Biospin - collection, processing
XEASY, Keller and Wuthrich - chemical shift assignment
SPARKY v3.114, Goddard - chemical shift assignment
CYANA v2.0, Guntert, Mumenthaler and Wuthrich - chemical shift calculation, data analysis, refinement
MolProbity, Richardson - data analysis
Molmol v2K.2, Koradi, Billeter and Wuthrich - data analysis, structure solution
NMR spectrometers:
- Bruker Avance 600 MHz