BMRB Entry 18114
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18114
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Title: Solution structure of human LL-23 bound to membrane-mimetic micelles PubMed: 22185690
Deposition date: 2011-11-30 Original release date: 2012-01-17
Authors: Wang, Guangshun
Citation: Wang, Guangshun; Elliott, Melissa; Cogen, Anna; Ezell, Edward; Gallo, Richard; Hancock, Robert. "Structure, dynamics, and antimicrobial and immune modulatory activities of human LL-23 and its single-residue variants mutated on the basis of homologous primate cathelicidins." Biochemistry 51, 653-664 (2012).
Assembly members:
entity, polymer, 23 residues, 2831.435 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: Escherichia coli
Entity Sequences (FASTA):
entity: LLGDFFRKSKEKIGKEFKRI
VQR
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 59 |
| 15N chemical shifts | 22 |
| 1H chemical shifts | 176 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | human LL-23 | 1 |
Entities:
Entity 1, human LL-23 23 residues - 2831.435 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 |
Samples:
sample_3: LL-23 2 mM; dodecylphosphocholine 120 mM; D2O 100%
sample_conditions_1: pH: 6; pressure: 1 atm; temperature: 310 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_3 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_3 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_3 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_3 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_3 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_3 | isotropic | sample_conditions_1 |
Software:
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution
NMR spectrometers:
- Varian INOVA 600 MHz
- Bruker DMX 400 MHz
Related Database Links:
| BMRB | 15876 |
| PDB | |
| DBJ | BAJ20821 |
| EMBL | CAA61805 CAA86115 CAG33364 CAG46759 |
| GB | AAA74084 AAC02634 AAG40802 AAH55089 AAN78318 |
| REF | NP_001065283 NP_004336 XP_003818474 |
| SP | P49913 Q1KLX1 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts