BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 18114

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

Data sets:
Data typeCount
13C chemical shifts59
15N chemical shifts22
1H chemical shifts176

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1human LL-231

Entities:

Entity 1, human LL-23 23 residues - 2831.435 Da.

1   LEULEUGLYASPPHEPHEARGLYSSERLYS
2   GLULYSILEGLYLYSGLUPHELYSARGILE
3   VALGLNARG

Samples:

sample_3: LL-23 2 mM; dodecylphosphocholine 120 mM; D2O 100%

sample_conditions_1: pH: 6; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_3isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_3isotropicsample_conditions_1
2D 1H-1H NOESYsample_3isotropicsample_conditions_1
2D 1H-1H TOCSYsample_3isotropicsample_conditions_1
2D DQF-COSYsample_3isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_3isotropicsample_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