BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 30316

Title: Structure of monomeric Interleukin-8 (1-66)   PubMed: 29143165

Deposition date: 2017-07-06 Original release date: 2017-11-20

Authors: Berkamp, S.; Opella, S.; Marassi, F.

Citation: Berkamp, S.; Park, S.; Radoicic, J.; De Angelis, A.; Opella, S.. "Structure of monomeric Interleukin-8 and its interactions with the N-terminal Binding Site-I of CXCR1 by solution NMR spectroscopy"  J. Biomol. NMR 69, 111-121 (2017).

Assembly members:
entity_1, polymer, 66 residues, 7714.061 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):
entity_1: SAKELRCQCIKTYSKPFHPK FIKELRVIESGPHCANTEII VKLSDGRELCLDPKENWVQR VVEKFL

Data sets:
Data typeCount
13C chemical shifts251
15N chemical shifts61
1H chemical shifts399

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 66 residues - 7714.061 Da.

1   SERALALYSGLULEUARGCYSGLNCYSILE
2   LYSTHRTYRSERLYSPROPHEHISPROLYS
3   PHEILELYSGLULEUARGVALILEGLUSER
4   GLYPROHISCYSALAASNTHRGLUILEILE
5   VALLYSLEUSERASPGLYARGGLULEUCYS
6   LEUASPPROLYSGLUASNTRPVALGLNARG
7   VALVALGLULYSPHELEU

Samples:

sample_3: HEPES 20 mM; IL-8 1-66, [U-15N], 20 mM

sample_1: HEPES 20 mM; IL-8 1-66, [U-13C; U-15N], 20 mM

sample_2: HEPES 20 mM; IL-8, [U-15N], 20 mM; Y21M bacteriophage 13.5 mg/L; sodium chloride 70 mM

sample_conditions_1: ionic strength: 20 mM; pH: 7.3; pressure: 1 atm; temperature: 313 K

Experiments:

NameSampleSample stateSample conditions
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HCC(CO)NHsample_1isotropicsample_conditions_1
3D CC(CO)NHsample_1isotropicsample_conditions_1
2D IPAPsample_2anisotropicsample_conditions_1
3D NOESYsample_3isotropicsample_conditions_1

Software:

SPARKY, Goddard - chemical shift assignment, peak picking

X-PLOR NIH v2.41.1, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Varian VS 800 MHz

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