BMRB Entry 30013
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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/BMR30013
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Title: Solution structure of porcinelactoferricin in TFE
Deposition date: 2016-02-12 Original release date: 2017-02-13
Authors: Chan, M.; Tse, M.; Lo, K.; Sze, K.
Citation: Chan, M.; Tse, M.; Lo, K.; Sze, K.. "Solution structure of porcine lactoferricin in TFE" . ., .-..
Assembly members:
Lactoferrin, polymer, 25 residues, 3040.595 Da.
Natural source: Common Name: Pig Taxonomy ID: 9823 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
Lactoferrin: SKCRQWQSKIRRTNPIFCIR
RASPT
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 183 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 25 residues - 3040.595 Da.
| 1 | SER | LYS | CYS | ARG | GLN | TRP | GLN | SER | LYS | ILE | ||||
| 2 | ARG | ARG | THR | ASN | PRO | ILE | PHE | CYS | ILE | ARG | ||||
| 3 | ARG | ALA | SER | PRO | THR |
Samples:
sample_1: lactoferricin, 1H, 1 mM
sample_conditions_1: ionic strength: 0 mM; pH: 6.9; 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 |
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
Software:
AMBER, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, and Kollman - refinement
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
SPARKY, Goddard - chemical shift assignment
TOPSPIN, Bruker Biospin - processing
NMR spectrometers:
- Bruker AVANCE 600 MHz spectromete 600 MHz