BMRB Entry 27684
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27684
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Title: CXCL3 PubMed: 30528777
Deposition date: 2018-11-06 Original release date: 2019-01-08
Authors: Gulati, Khushboo; Gangele, Krishnakant; Kumar, Dinesh; Poluri, Krishna Mohan
Citation: Gulati, Khushboo; Gangele, Krishnakant; Kumar, Dinesh; Poluri, Krishna Mohan. "An inter-switch between hydrophobic and charged amino acids generated druggable small molecule binding pocket in chemokine paralog CXCL3" Arch. Biochem. Biophys. 662, 121-128 (2018).
Assembly members:
CXCL3, polymer, 73 residues, 7827 Da.
Natural source: Common Name: Mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET
Entity Sequences (FASTA):
CXCL3: AVVASELRCQCLNTLPRVDF
ETIQSLTVTPPGPHCTQTEV
IATLKDGQEVCLNPQGPRLQ
IIIKKILKSGKSS
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 130 |
| 15N chemical shifts | 67 |
| 1H chemical shifts | 67 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CXCL3 | 1 |
Entities:
Entity 1, CXCL3 73 residues - 7827 Da.
| 1 | ALA | VAL | VAL | ALA | SER | GLU | LEU | ARG | CYS | GLN | ||||
| 2 | CYS | LEU | ASN | THR | LEU | PRO | ARG | VAL | ASP | PHE | ||||
| 3 | GLU | THR | ILE | GLN | SER | LEU | THR | VAL | THR | PRO | ||||
| 4 | PRO | GLY | PRO | HIS | CYS | THR | GLN | THR | GLU | VAL | ||||
| 5 | ILE | ALA | THR | LEU | LYS | ASP | GLY | GLN | GLU | VAL | ||||
| 6 | CYS | LEU | ASN | PRO | GLN | GLY | PRO | ARG | LEU | GLN | ||||
| 7 | ILE | ILE | ILE | LYS | LYS | ILE | LEU | LYS | SER | GLY | ||||
| 8 | LYS | SER | SER |
Samples:
sample_1: CXCL3, [U-99% 13C; U-99% 15N], 1 mM; D2O, [U-100% 2H], 10%; H2O 90%; sodium phosphate 50 mM; sodium azide 0.05%
sample_conditions_1: ionic strength: 0.050 M; pH: 6.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
Software:
CARA v1.9.1, Keller and Wuthrich - chemical shift assignment, data analysis
NMR spectrometers:
- Bruker Avance 800 MHz
Related Database Links:
| NCBI | NM_203320.2 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts