BMRB Entry 25725
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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/BMR25725
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Title: Solution structure of cystein-rich peptide jS1 from Jasminum sambac PubMed: 26555361
Deposition date: 2015-07-24 Original release date: 2016-07-25
Authors: Shin, Joon; Kumari, Geeta; Serra, Aida; Nguyen, Phuong; Yoon, Ho Sup; Tam, James
Citation: Kumari, Geeta; Serra, Aida; Shin, Joon; Nguyen, Phuong; Sze, Siu Kwan; Yoon, Ho Sup; Tam, James. "Cysteine-Rich Peptide Family with Unusual Disulfide Connectivity from Jasminum sambac" J. Nat. Prod. 78, 2791-2799 (2015).
Assembly members:
entity, polymer, 27 residues, 3132.687 Da.
Natural source: Common Name: Arabian jasmine Taxonomy ID: 660624 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Jasminum sambac
Experimental source: Production method: purified from the natural source Host organism: Jasminum sambac
Entity Sequences (FASTA):
entity: QLCLQCRSNSDCNIIWRICR
DGCCNVI
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 179 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 27 residues - 3132.687 Da.
| 1 | GLN | LEU | CYS | LEU | GLN | CYS | ARG | SER | ASN | SER | ||||
| 2 | ASP | CYS | ASN | ILE | ILE | TRP | ARG | ILE | CYS | ARG | ||||
| 3 | ASP | GLY | CYS | CYS | ASN | VAL | ILE |
Samples:
sample_1: jS10.7 – 1.0 mM; H2O 90%; D2O, [U-2H], 10%; sodium phosphate 20 mM; sodium chloride 50 mM; sodium azide 0.01 % w/v
sample_2: jS10.7 – 1.0 mM; D2O, [U-2H], 100%; sodium phosphate 20 mM; sodium chloride 50 mM; sodium azide 0.01 % w/v
sample_conditions_1: pH: 7.0; 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 TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v2.1, Bruker Biospin - collection, processing
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - data analysis
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - geometry optimization, refinement
NMR spectrometers:
- Bruker Avance 700 MHz