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 17453

Title: Oligomeric Structure of the Chemokine CCL5/RANTES from NMR, MS, and SAXS Data   PubMed: 21827949

Deposition date: 2011-02-09 Original release date: 2011-08-17

Authors: Wang, Xu; Watson, Caroline; Sharp, Joshua; Handel, Tracy; Prestegard, James

Citation: Wang, Xu; Watson, Caroline; Sharp, Joshua; Handel, Tracy; Prestegard, James. "Oligomeric Structure of the Chemokine CCL5/RANTES from NMR, MS, and SAXS Data."  Structure 19, 1138-1148 (2011).

Assembly members:
ccl5, polymer, 68 residues, 7774.992 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

Entity Sequences (FASTA):
ccl5: SPYSSDTTPCCFAYIARPLP RAHIKEYFYTSGKCSNPAVV FVTRKNRQVCANPEKKWVRE YINSLEMS

Data sets:
Data typeCount
15N chemical shifts59
1H chemical shifts58

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1chain_11
2chain_21
3chain_31
4chain_41

Entities:

Entity 1, chain_1 68 residues - 7774.992 Da.

1   SERPROTYRSERSERASPTHRTHRPROCYS
2   CYSPHEALATYRILEALAARGPROLEUPRO
3   ARGALAHISILELYSGLUTYRPHETYRTHR
4   SERGLYLYSCYSSERASNPROALAVALVAL
5   PHEVALTHRARGLYSASNARGGLNVALCYS
6   ALAASNPROGLULYSLYSTRPVALARGGLU
7   TYRILEASNSERLEUGLUMETSER

Samples:

sample_1: ccl5, [U-100% 15N], 1 mM; sodium acetate 50 mM; H2O 90%; D2O 10%

sample_2: ccl5, [U-100% 15N], 1 mM; sodium acetate 50 mM; polyacrylamide 5%; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.05 M; pH: 4.4; pressure: 1 atm; temperature: 297 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N J-mod TROSYsample_1isotropicsample_conditions_1
2D 1H-15N TROSYsample_2anisotropicsample_conditions_1
2D 1H-15N HSQCsample_2anisotropicsample_conditions_1
2D 1H-15N J-mod TROSYsample_2anisotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1

Software:

NAMD, Phillips, Braun, Wang, Gumbart, Tajkhorshid, Villa, Chipot, Skeel, Kale, and Schulte - refinement

NMRView, Johnson, One Moon Scientific - data analysis

VNMRJ, Varian - collection

VMD, Humphrey, Dalke & Schulten. - refinement

NMR spectrometers:

  • Varian INOVA 800 MHz
  • Varian INOVA 900 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts