BMRB Entry 19808
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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/BMR19808
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Title: Ginsentides: Characterization, Structure and Application of a New Class of Highly Stable Cystine Knot Peptides in Ginseng
Deposition date: 2014-02-20 Original release date: 2015-03-02
Authors: Wang, Shujing; Nguyen, Kien Truc Giang; Luo, Shining; Tam, James P.; Yang, Daiwen
Citation: Wang, Shujing; Nguyen, Kien Truc Giang; Luo, Shining; Tam, James P.; Yang, Daiwen. "Ginsentides: Characterization, Structure and Application of a New Class of Highly Stable Cystine Knot Peptides in Ginseng" Not known ., .-..
Assembly members:
entity, polymer, 31 residues, 3065.522 Da.
Natural source: Common Name: Ginseng Taxonomy ID: 4054 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Panax ginseng
Experimental source: Production method: purified from the natural source Host organism: Panax ginseng
Entity Sequences (FASTA):
entity: CKSGGAWCGFDPHGCCGNCG
CLVGFCYGTGC
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 162 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Ginsentide | 1 |
Entities:
Entity 1, Ginsentide 31 residues - 3065.522 Da.
| 1 | CYS | LYS | SER | GLY | GLY | ALA | TRP | CYS | GLY | PHE | ||||
| 2 | ASP | PRO | HIS | GLY | CYS | CYS | GLY | ASN | CYS | GLY | ||||
| 3 | CYS | LEU | VAL | GLY | PHE | CYS | TYR | GLY | THR | GLY | ||||
| 4 | CYS |
Samples:
sample_1: Ginsentide mM; H2O 95%; D2O 5%
sample_conditions_1: ionic strength: 0 M; pH: 3.3; 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, Bruker Biospin - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis
CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure solution
NMRspy, Zheng Yu, Xu Yingqi and Yang Daiwen - chemical shift assignment, peak picking
ProcheckNMR, Laskowski and MacArthur - refinement
Molmol, Koradi, Billeter and Wuthrich - geometry optimization
NMR spectrometers:
- Bruker Avance 800 MHz