BMRB Entry 27986
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27986
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Title: Mouse CCL2 PubMed: 32289428
Deposition date: 2019-07-24 Original release date: 2020-09-28
Authors: Joshi, Nidhi; Kumar, Dinesh; Poluri, Krishna Mohan
Citation: Joshi, Nidhi; Nagar, Nupur; Gulati, Khushboo; Gangele, Krishnakant; Mishra, Amit; Kumar, Dinesh; Poluri, Krishna Mohan. "Dissecting the differential structural and dynamics features of CCL2 chemokine orthologs" Int. J. Biol. Macromol. 156, 239-251 (2020).
Assembly members:
CCL2, polymer, 76 residues, Formula weight is not available
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):
CCL2: QPDAVNAPLTCCYSFTSKMI
PMSRLESYKRITSSRCPKEA
VVFVTKLKREVCADPKKEWV
QTYIKNLDRNQMRSEP
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 140 |
| 15N chemical shifts | 70 |
| 1H chemical shifts | 136 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CCL2 | 1 |
Entities:
Entity 1, CCL2 76 residues - Formula weight is not available
| 1 | GLN | PRO | ASP | ALA | VAL | ASN | ALA | PRO | LEU | THR | ||||
| 2 | CYS | CYS | TYR | SER | PHE | THR | SER | LYS | MET | ILE | ||||
| 3 | PRO | MET | SER | ARG | LEU | GLU | SER | TYR | LYS | ARG | ||||
| 4 | ILE | THR | SER | SER | ARG | CYS | PRO | LYS | GLU | ALA | ||||
| 5 | VAL | VAL | PHE | VAL | THR | LYS | LEU | LYS | ARG | GLU | ||||
| 6 | VAL | CYS | ALA | ASP | PRO | LYS | LYS | GLU | TRP | VAL | ||||
| 7 | GLN | THR | TYR | ILE | LYS | ASN | LEU | ASP | ARG | ASN | ||||
| 8 | GLN | MET | ARG | SER | GLU | PRO |
Samples:
sample_1: CCL2, [U-99% 13C; U-99% 15N], 1.0 mM; D2O, [U-100% 2H], 10%; H2O 90%; sodium phosphate 50 mM; sodium chloride 50 mM; sodium azide 0.05%
sample_conditions_1: ionic strength: 50 mM; 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 | BC145869.1 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts