BMRB Entry 30316
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30316
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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
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 251 |
| 15N chemical shifts | 61 |
| 1H chemical shifts | 399 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 66 residues - 7714.061 Da.
| 1 | SER | ALA | LYS | GLU | LEU | ARG | CYS | GLN | CYS | ILE | ||||
| 2 | LYS | THR | TYR | SER | LYS | PRO | PHE | HIS | PRO | LYS | ||||
| 3 | PHE | ILE | LYS | GLU | LEU | ARG | VAL | ILE | GLU | SER | ||||
| 4 | GLY | PRO | HIS | CYS | ALA | ASN | THR | GLU | ILE | ILE | ||||
| 5 | VAL | LYS | LEU | SER | ASP | GLY | ARG | GLU | LEU | CYS | ||||
| 6 | LEU | ASP | PRO | LYS | GLU | ASN | TRP | VAL | GLN | ARG | ||||
| 7 | VAL | VAL | GLU | LYS | PHE | LEU |
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:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HCC(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D CC(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 2D IPAP | sample_2 | anisotropic | sample_conditions_1 |
| 3D NOESY | sample_3 | isotropic | sample_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