BMRB Entry 12021
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR12021
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Title: 1H and 13C Assignments for PPTI (Pseudocerastes Persicus Trypsin Inhibitor) PubMed: 30973886
Deposition date: 2018-06-19 Original release date: 2019-05-09
Authors: Amininasab, Mehriar; Banijamali, Seyede Elnaz
Citation: Banijamali, Seyede Elnaz; Amininasab, Mehriar; Zaeifi, Davood. "Structural characterization of PPTI, a kunitz-type protein from the venom of Pseudocerastes persicus." PLoS ONE 14, e0214657-e0214657 (2019).
Assembly members:
PPTI, polymer, 68 residues, 7642.7 Da.
Natural source: Common Name: Pseudocerastes persicus Taxonomy ID: 47769 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Pseudocerastes persicus
Experimental source: Production method: purified from the natural source Host organism: Pseudocerastes persicus Vector: NA
Entity Sequences (FASTA):
PPTI: XDRPKFCYLPDDPGVCKAHI
PRFYYNPASNKCKEFIYGGC
GGNANNFETRAECRHTCVAS
RKGGPRRP
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 64 |
1H chemical shifts | 407 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | PPTI | 1 |
Entities:
Entity 1, PPTI 68 residues - 7642.7 Da.
1 | PCA | ASP | ARG | PRO | LYS | PHE | CYS | TYR | LEU | PRO | ||||
2 | ASP | ASP | PRO | GLY | VAL | CYS | LYS | ALA | HIS | ILE | ||||
3 | PRO | ARG | PHE | TYR | TYR | ASN | PRO | ALA | SER | ASN | ||||
4 | LYS | CYS | LYS | GLU | PHE | ILE | TYR | GLY | GLY | CYS | ||||
5 | GLY | GLY | ASN | ALA | ASN | ASN | PHE | GLU | THR | ARG | ||||
6 | ALA | GLU | CYS | ARG | HIS | THR | CYS | VAL | ALA | SER | ||||
7 | ARG | LYS | GLY | GLY | PRO | ARG | ARG | PRO |
Samples:
sample_1: PPTI 2.0 mM; H2O 90%; D2O, [U-2H], 10%
sample_conditions_1: ionic strength: 0.0 M; pH: 4.0; pressure: 1 atm; temperature: 293.0 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 |
2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
SPARKY, Goddard - chemical shift assignment
NMR spectrometers:
- Bruker DRX 500 MHz