BMRB Entry 30647
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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/BMR30647
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Title: Dg12a PubMed: 31870846
Deposition date: 2019-07-25 Original release date: 2020-01-17
Authors: Agwa, A.; Schroeder, C.
Citation: Jin, Jiayi; Agwa, Akello; Szanto, Tibor; Csoti, Agota; Panyi, Gyorgy; Schroeder, Christina; Walker, Andrew; King, Glenn. "Weaponisation 'on the fly': Convergent recruitment of knottin and defensin peptide scaffolds into the venom of predatory assassin flies" Insect Biochem. Mol. Biol. 118, 103310-103310 (2020).
Assembly members:
entity_1, polymer, 34 residues, 3922.558 Da.
Natural source: Common Name: Dolopus genitalis Taxonomy ID: 2488630 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Dolopus genitalis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: SQEQRQCKKIGEHCYVADEC
CSKRCLFYAAKCVS
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 99 |
| 15N chemical shifts | 33 |
| 1H chemical shifts | 233 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 34 residues - 3922.558 Da.
| 1 | SER | GLN | GLU | GLN | ARG | GLN | CYS | LYS | LYS | ILE | ||||
| 2 | GLY | GLU | HIS | CYS | TYR | VAL | ALA | ASP | GLU | CYS | ||||
| 3 | CYS | SER | LYS | ARG | CYS | LEU | PHE | TYR | ALA | ALA | ||||
| 4 | LYS | CYS | VAL | SER |
Samples:
sample_1: Dg12a 1 mg/mL
sample_conditions_1: ionic strength: 1 M; pH: 4; pressure: 1 Pa; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-1H COSY | sample_1 | anisotropic | sample_conditions_1 |
Software:
TopSpin v3.5, Bruker Biospin - refinement
CYANA v3.97, Guntert, Mumenthaler and Wuthrich - structure calculation
CcpNmr Analysis v2.4.1, CCPN - chemical shift assignment
NMR spectrometers:
- Bruker Avance 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts