BMRB Entry 34641
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34641
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: Solution structure of bee apamin PubMed: 36188602
Deposition date: 2021-06-22 Original release date: 2022-07-04
Authors: Mineev, K.; Kuzmenkov, A.; Vassilevski, A.
Citation: Kuzmenkov, Alexey; Peigneur, Steve; Nasburg, Joshua; Mineev, Konstantin; Nikolaev, Maxim; Pinheiro-Junior, Ernesto Lopes; Arseniev, Alexander; Wulff, Heike; Tytgat, Jan; Vassilevski, Alexander. "Solution structure of bee apamin" Front. Pharmacol. 13, 977440-977440 (2022).
Assembly members:
entity_1, polymer, 19 residues, 2034.392 Da.
Natural source: Common Name: Honeybee Taxonomy ID: 7460 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Apis mellifera
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: CNCKAPETALCARRCQQHX
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 44 |
| 15N chemical shifts | 21 |
| 1H chemical shifts | 119 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 19 residues - 2034.392 Da.
| 1 | CYS | ASN | CYS | LYS | ALA | PRO | GLU | THR | ALA | LEU | ||||
| 2 | CYS | ALA | ARG | ARG | CYS | GLN | GLN | HIS | NH2 |
Samples:
sample_1: apamin 1 mM; sodium azide 0.01 % v/v
sample_conditions_1: ionic strength: 10 mM; pH: 2.5; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v3.98.13, Guntert, Mumenthaler and Wuthrich - structure calculation
CARA v1.9, Keller and Wuthrich - chemical shift assignment
TopSpin v3.2, Bruker Biospin - processing
NMR spectrometers:
- Bruker AVANCE III 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts