BMRB Entry 53378
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53378
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NMR-STAR v3 text file.
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Citation: Almeida, Vitor; Nogueira, Virginnia; Conti, Livia; Costa, Ana Paula; Valente, Ana Paula. "1H, 15N and 13C backbone and side-chain resonance assignments of Amblyomin-X Kunitz domain
" Biomol. NMR Assign. 20, 24-24 (2026).
PubMed: 42637873
Assembly members:
entity_1, polymer, 63 residues, Formula weight is not available
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET32-a
Entity Sequences (FASTA):
entity_1: ANSKAVCNLPKLAGDETCSN
KTEIRWYYNGTACEAFIFKG
CGGNDNNFDRVDDCQRLCEE
QTH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 242 |
| 15N chemical shifts | 69 |
| 1H chemical shifts | 383 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Amblyomin-X Kunitz Domain. | 1 |
Entities:
Entity 1, Amblyomin-X Kunitz Domain. 63 residues - Formula weight is not available
| 1 | ALA | ASN | SER | LYS | ALA | VAL | CYS | ASN | LEU | PRO | ||||
| 2 | LYS | LEU | ALA | GLY | ASP | GLU | THR | CYS | SER | ASN | ||||
| 3 | LYS | THR | GLU | ILE | ARG | TRP | TYR | TYR | ASN | GLY | ||||
| 4 | THR | ALA | CYS | GLU | ALA | PHE | ILE | PHE | LYS | GLY | ||||
| 5 | CYS | GLY | GLY | ASN | ASP | ASN | ASN | PHE | ASP | ARG | ||||
| 6 | VAL | ASP | ASP | CYS | GLN | ARG | LEU | CYS | GLU | GLU | ||||
| 7 | GLN | THR | HIS |
Samples:
sample_1: Amblyomin-X Kunitz Domain., [U-100% 13C; U-100% 15N], 200 uM
sample_conditions_1: pH: 6; pressure: 1 atm; temperature: 308 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | 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 |
Software:
CcpNMR v3.2 - chemical shift assignment
NMR spectrometers:
- Bruker AVANCE III 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks