BMRB Entry 15299
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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/BMR15299
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Pimentel, Cyril; M'Barek, Sarrah; Visan, Violetta; Grissmer, Stephan; Sampieri, Francois; Sabatier, Jean-Marc; Darbon, Herve; Fajloun, Ziad. "Chemical synthesis and 1H-NMR 3D structure determination of AgTx2-MTX chimera, a new potential blocker for Kv1.2 channel, derived from MTX and AgTx2 scorpion toxins" Protein Sci. 17, 107-118 (2008).
PubMed: 18042681
Assembly members:
AgTx2-MTX, polymer, 39 residues, Formula weight is not available
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):
AgTx2-MTX: GVPINVSCTGSKDCYAPCRK
QTGCPNAKCINKSCKCYGC
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 217 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | AgTx2-MTX | 1 |
Entities:
Entity 1, AgTx2-MTX 39 residues - Formula weight is not available
| 1 | GLY | VAL | PRO | ILE | ASN | VAL | SER | CYS | THR | GLY | ||||
| 2 | SER | LYS | ASP | CYS | TYR | ALA | PRO | CYS | ARG | LYS | ||||
| 3 | GLN | THR | GLY | CYS | PRO | ASN | ALA | LYS | CYS | ILE | ||||
| 4 | ASN | LYS | SER | CYS | LYS | CYS | TYR | GLY | CYS |
Samples:
sample_1: AgTx2-MTX 1 mM
sample_conditions_1: ionic strength: 0 M; pH: 3; pressure: 1 atm; temperature: 300 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
XEASY v2.1, Bartels et al. - chemical shift assignment, peak picking
ARIA v1.2, Linge, O'Donoghue and Nilges - refinement, structure solution
NMR spectrometers:
- Bruker DRX 500 MHz