BMRB Entry 5184
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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/BMR5184
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
Citation: Bocharov, Eduard; Maslennikov, Innokenty; Korolkova, Yuliya; Grishin, Eugene; Arseniev, Alexandr. "Inverse active site of scorpion toxin BeKm" Nat. Struct. Biol. ., .-..
Assembly members:
scorpion toxin BeKm, polymer, 36 residues, 4092 Da.
Natural source: Common Name: lesser Asian scorpion Taxonomy ID: 34648 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Buthus eupeus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
scorpion toxin BeKm: RPTDIKCSESYQCFPVCKSR
FGKTNGRCVNGFCDCF
- assigned_chemical_shifts
- coupling_constants
| Data type | Count |
| 1H chemical shifts | 230 |
| coupling constants | 30 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | BeKm | 1 |
Entities:
Entity 1, BeKm 36 residues - 4092 Da.
| 1 | ARG | PRO | THR | ASP | ILE | LYS | CYS | SER | GLU | SER | ||||
| 2 | TYR | GLN | CYS | PHE | PRO | VAL | CYS | LYS | SER | ARG | ||||
| 3 | PHE | GLY | LYS | THR | ASN | GLY | ARG | CYS | VAL | ASN | ||||
| 4 | GLY | PHE | CYS | ASP | CYS | PHE |
Samples:
sample_1: scorpion toxin BeKm 1.0 mM
sample_cond_1: pH: 3.5; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1H COSY | sample_1 | not available | sample_cond_1 |
| 1H TOCSY | sample_1 | not available | sample_cond_1 |
| 1H NOESY | sample_1 | not available | sample_cond_1 |
Software:
XEASY v1.2.11 - peak assignments
DYANA v1.5 - structure calculation
FANTOM v4 - energy minimization
MOLMOL v2.5.1 - visualization, structure analysis
NMR spectrometers:
- Varian UNITY 600 MHz