BMRB Entry 15729
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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/BMR15729
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
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Citation: Pantoja-Uceda, David; Arolas, Joan L.; Garcia, Pascal; Lopez-Hernandez, Eva; Padro, Daniel; Aviles, Francesc X.; Blanco, Francisco J.. "The NMR structure and dynamics of the two-domain tick carboxypeptidase inhibitor reveal flexibility in its free form and stiffness upon binding to human carboxypeptidase B" Biochemistry 47, 7066-7078 (2008).
PubMed: 18558717
Assembly members:
TCI, polymer, 75 residues, Formula weight is not available
Natural source: Common Name: not available Taxonomy ID: 67831 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Rhipicephalus bursa
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pBAT-4-OmpA
Entity Sequences (FASTA):
TCI: NECVSKGFGCLPQSDCPQEA
RLSYGGCSTVCCDLSKLTGC
KGKGGECNPLDRQCKELQAE
SASCGKGQKCCVWLH
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 410 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | TCI | 1 |
Entities:
Entity 1, TCI 75 residues - Formula weight is not available
| 1 | ASN | GLU | CYS | VAL | SER | LYS | GLY | PHE | GLY | CYS | ||||
| 2 | LEU | PRO | GLN | SER | ASP | CYS | PRO | GLN | GLU | ALA | ||||
| 3 | ARG | LEU | SER | TYR | GLY | GLY | CYS | SER | THR | VAL | ||||
| 4 | CYS | CYS | ASP | LEU | SER | LYS | LEU | THR | GLY | CYS | ||||
| 5 | LYS | GLY | LYS | GLY | GLY | GLU | CYS | ASN | PRO | LEU | ||||
| 6 | ASP | ARG | GLN | CYS | LYS | GLU | LEU | GLN | ALA | GLU | ||||
| 7 | SER | ALA | SER | CYS | GLY | LYS | GLY | GLN | LYS | CYS | ||||
| 8 | CYS | VAL | TRP | LEU | HIS |
Samples:
sample_1: TCI 1.00 mM; D2O 5%; H2O 95%
sample_conditions_1: ionic strength: . M; pH: 3.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRView v5.0.4, Johnson, One Moon Scientific - data analysis, peak picking
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
xwinnmr, Bruker Biospin - collection, processing
NMR spectrometers:
- Bruker Avance 700 MHz