BMRB Entry 15876
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
BMRB Entry DOI: doi:10.13018/BMR15876
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Wang, Guangshun. "Structures of human host defense cathelicidin LL-37 and its smallest antimicrobial peptide KR-12 in lipid micelles" J. Biol. Chem. 283, 32637-32643 (2008).
PubMed: 18818205
Assembly members:
LL-37, polymer, 37 residues, 4504.398 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-32a(+)
Entity Sequences (FASTA):
LL-37: LLGDFFRKSKEKIGKEFKRI
VQRIKDFLRNLVPRTES
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 106 |
| 15N chemical shifts | 36 |
| 1H chemical shifts | 37 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | LL-37 | 1 |
Entities:
Entity 1, LL-37 37 residues - 4504.398 Da.
| 1 | LEU | LEU | GLY | ASP | PHE | PHE | ARG | LYS | SER | LYS | ||||
| 2 | GLU | LYS | ILE | GLY | LYS | GLU | PHE | LYS | ARG | ILE | ||||
| 3 | VAL | GLN | ARG | ILE | LYS | ASP | PHE | LEU | ARG | ASN | ||||
| 4 | LEU | VAL | PRO | ARG | THR | GLU | SER |
Samples:
sample_1: LL-37, [U-100% 15N], 0.50 mM; LL-37, [U-100% 13C; U-100% 15N], 0.5 mM; LL-37 2 mM; H2O 90%; D2O, [U-100% 2H], 10%
sample_conditions_1: pH: 5.4; pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNHA | sample_1 | isotropic | sample_conditions_1 |
Software:
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - peak picking: PIPP, processing: NMR_Pipe
NMR spectrometers:
- Varian INOVA 600 MHz