BMRB Entry 36316
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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/BMR36316
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
All files associated with the entry
Citation: Yun, H.; Min, H.; Lee, C.. "NMR Structure and Bactericidal Activity of KR-12 Analog Derived from Human LL-37 as a Potential Cosmetic Preservative" .
Assembly members:
LYS-ARG-ILE-VAL-LYS-ARG-ILE-LYS-LYS-TRP-LEU-ARG, polymer, 12 residues, 1631.13 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: chemical synthesis Host organism: unidentified
Entity Sequences (FASTA):
LYS-ARG-ILE-VAL-LYS-ARG-ILE-LYS-LYS-TRP-LEU-ARG: KRIVKRIKKWLR
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 86 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 12 residues - 1631.13 Da.
| 1 | LYS | ARG | ILE | VAL | LYS | ARG | ILE | LYS | LYS | TRP | ||||
| 2 | LEU | ARG |
Samples:
sample_1: LYS-ARG-ILE-VAL-LYS-ARG-ILE-LYS-LYS-TRP-LEU-ARG mM; trifluoroethanol 50%; water 50%
sample_conditions_1: ionic strength: 50 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
NMRView, Johnson, One Moon Scientific - chemical shift assignment
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Bruker AVANCE 600 MHz