BMRB Entry 30057
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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/BMR30057
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Title: NMR structures of hylin-a1 analogs: Hylin-Ac
Deposition date: 2016-04-05 Original release date: 2017-04-06
Authors: Crusca Jr., Edson; Matos, Carolina; Liao, Luciano; Oliveira, Aline
Citation: Crusca Jr., E.; Camara, A.; Matos, C.; Marchetto, R.; Cilli, E.; Liao, L.; de Oliveira, A.L.. "NMR structures and molecular dynamics simulation of hylin-a1 analogs bound to dodecylphosphocholine micelles." . ., .-..
Assembly members:
Hylin-Ac, polymer, 20 residues, 1964.463 Da.
Natural source: Common Name: Spotted tree frog Taxonomy ID: 279985 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Hypsiboas albopunctatus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
Hylin-Ac: XIFGAIWPLALGALKNLIKX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 129 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 20 residues - 1964.463 Da.
| 1 | ACE | ILE | PHE | GLY | ALA | ILE | TRP | PRO | LEU | ALA | |
| 2 | LEU | GLY | ALA | LEU | LYS | ASN | LEU | ILE | LYS | NH2 |
Samples:
sample_1: DPC-d38, [U-100% 2H], 100 mM; H2O 90%; D2O 10%
sample_conditions_1: pH: 7.0; 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:
CNS, SCHWIETERS, KUSZEWSKI, TJANDRA AND CLORE - refinement
NMRVIEW - structure solution
NMR spectrometers:
- Bruker AvanceIII 500 MHz