BMRB Entry 15731
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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/BMR15731
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Title: Solution structure of the folded domain of intermediate IIIb of Tick Carboxypeptidase Inhibitor PubMed: 18558717
Deposition date: 2008-04-15 Original release date: 2008-07-15
Authors: Pantoja, David; Blanco, Francisco
Citation: Pantoja-Uceda, David; Arolas, Joan L.; Garcia, Pascal; Lopez-Hernandez, Eva; Padro, Daniel; Aviles, Francesc X; Blanco, Francisco. "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).
Assembly members:
intermediate IIIb, polymer, 39 residues, 4173.853 Da.
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
Entity Sequences (FASTA):
intermediate IIIb: LTGCKGKGGECNPLDRQCKE
LQAESASCGKGQKCCVWLH
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 226 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | intermediate IIIb | 1 |
Entities:
Entity 1, intermediate IIIb 39 residues - 4173.853 Da.
| 1 | LEU | THR | GLY | CYS | LYS | GLY | LYS | GLY | GLY | GLU | ||||
| 2 | CYS | ASN | PRO | LEU | ASP | ARG | GLN | CYS | LYS | GLU | ||||
| 3 | LEU | GLN | ALA | GLU | SER | ALA | SER | CYS | GLY | LYS | ||||
| 4 | GLY | GLN | LYS | CYS | CYS | VAL | TRP | LEU | HIS |
Samples:
sample_1: IIIB 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:
xwinnmr, Bruker Biospin - collection, processing
NMRView, Johnson, One Moon Scientific - data analysis, peak picking
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Bruker Avance 700 MHz