BMRB Entry 19874
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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/BMR19874
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Title: Solution Structure of kalata B1[W23WW] PubMed: 25099014
Deposition date: 2014-03-26 Original release date: 2015-05-26
Authors: Henriques, Sonia Troeira; Huang, Yen-Hua; Chaousis, Stephanie; Wang, Conan; Craik, David
Citation: Henriques, Sonia Troeira; Huang, Yen-Hua; Chaousis, Stephanie; Wang, Conan; Craik, David. "Anticancer and toxic properties of cyclotides are dependent on phosphatidylethanolamine phospholipid targeting" Chembiochem 15, 1956-1965 (2014).
Assembly members:
kalata B1[W23WW], polymer, 30 residues, 3103.556 Da.
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
kalata B1[W23WW]: GLPVCGETCVGGTCNTPGCT
CSWWPVCTRN
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 175 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | kalata B1[W23WW] | 1 |
Entities:
Entity 1, kalata B1[W23WW] 30 residues - 3103.556 Da.
| 1 | GLY | LEU | PRO | VAL | CYS | GLY | GLU | THR | CYS | VAL | |
| 2 | GLY | GLY | THR | CYS | ASN | THR | PRO | GLY | CYS | THR | |
| 3 | CYS | SER | TRP | TRP | PRO | VAL | CYS | THR | ARG | ASN |
Samples:
sample_1: kalata_B1-W23WW 1 mM; acetonitrile 30 v/v
sample_conditions_1: ionic strength: 0 M; pH: 3.5; 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:
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution
NMR spectrometers:
- Bruker Avance 600 MHz