BMRB Entry 53700
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53700
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
All files associated with the entry
Citation: Estrada, Jorge Eduardo; Vasconcelos, Ariana; Zingali, Russolina; Almeida, Fabio. "NMR resonance assignments (1H, 13C, 15N) of jararacin (rJarc), a disintegrin from Bothrops jararaca
" Biomol. NMR Assignments 20, 21-21 (2026).
PubMed: 42295596
Assembly members:
entity_1, polymer, 73 residues, Formula weight is not available
Natural source: Common Name: Bothrops jararaca Taxonomy ID: 8724 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Bothrops jararaca
Experimental source: Production method: recombinant technology Host organism: Komagataella phaffii Vector: pPIC9-Jarc
Entity Sequences (FASTA):
entity_1: EAGEECDCGTPGNPCCDAAT
CKLRPGAQCAEGLCCDQCRF
KGAGKICRRARGDNPDDRCT
GQSADCPRNRFHA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 162 |
| 15N chemical shifts | 49 |
| 1H chemical shifts | 269 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Jararacin | 1 |
Entities:
Entity 1, Jararacin 73 residues - Formula weight is not available
| 1 | GLU | ALA | GLY | GLU | GLU | CYS | ASP | CYS | GLY | THR | ||||
| 2 | PRO | GLY | ASN | PRO | CYS | CYS | ASP | ALA | ALA | THR | ||||
| 3 | CYS | LYS | LEU | ARG | PRO | GLY | ALA | GLN | CYS | ALA | ||||
| 4 | GLU | GLY | LEU | CYS | CYS | ASP | GLN | CYS | ARG | PHE | ||||
| 5 | LYS | GLY | ALA | GLY | LYS | ILE | CYS | ARG | ARG | ALA | ||||
| 6 | ARG | GLY | ASP | ASN | PRO | ASP | ASP | ARG | CYS | THR | ||||
| 7 | GLY | GLN | SER | ALA | ASP | CYS | PRO | ARG | ASN | ARG | ||||
| 8 | PHE | HIS | ALA |
Samples:
sample_1: Jararacin, [U-100% 13C; U-100% 15N], 500 ± 50 uM; NaCl 173 mM; KCl 2.7 mM; Na2HPO4 10 mM; KH2PO4 1.8 mM
sample_conditions_1: ionic strength: 208 mM; pH: 7.4; pressure: 1 atm; temperature: 298K K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D (H)CCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CcpNMR v2.5.2 - chemical shift assignment
NMRPipe - processing
TOPSPIN v3.6.8 - collection
NMRbox v2025 - processing
NMR spectrometers:
- Bruker AVANCE III 600 MHz
- Bruker AVANCE III 900 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks