BMRB Entry 25941
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25941
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Title: NMR Structure of retro-KR-12: A reversed sequence of a minimalized domain derived from human cathelicidin LL-37
Deposition date: 2016-01-05 Original release date: 2017-01-12
Authors: Gunasekera, Sunithi; Goransson, Ulf
Citation: Gunasekera, Sunithi; Muhammad, Taj; Stromstedt, Adam; Rosengren, K.; Goransson, Ulf. "Backbone-cyclized stable peptide-dimers derived from the human cathelicidin LL-37 mediate potent antimicrobial activity" Not known ., .-..
Assembly members:
entity, polymer, 12 residues, 1576.967 Da.
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity: RLFDKIRQVIRK
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 99 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 12 residues - 1576.967 Da.
| 1 | ARG | LEU | PHE | ASP | LYS | ILE | ARG | GLN | VAL | ILE | ||||
| 2 | ARG | LYS |
Samples:
sample_1: entity 1 mM; H2O 90 % v/v; D2O 10 % v/v
sample_2: entity 1 mM; D2O 100 % v/v
sample_conditions_1: pH: 4.5; temperature: 298 K
sample_conditions_2: pH: 4.5; 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 DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_2 |
Software:
CYANA, G??ntert P. - refinement
NMR spectrometers:
- Bruker Avance 800 MHz