BMRB Entry 52209
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52209
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Title: Chemical shifts of constitutively monomeric CXCL12 PubMed: 38331917
Deposition date: 2023-11-16 Original release date: 2024-01-06
Authors: Mantonico, Malisa; Quilici, Giacomo; Musco, Giovanna
Citation: Mantonico, Malisa Vittoria; De Leo, Federica; Quilici, Giacomo; Colley, Liam Sean; De Marchis, Francesco; Crippa, Massimo; Mezzapelle, Rosanna; Schulte, Tim; Zucchelli, Chiara; Pastorello, Chiara; Carmeno, Camilla; Caprioglio, Francesca; Ricagno, Stefano; Giachin, Gabriele; Ghitti, Michela; Bianchi, Marco Emilio; Musco, Giovanna. "The acidic intrinsically disordered region of the inflammatory mediator HMGB1 mediates fuzzy interactions with CXCL12" Nat. Commun. 15, 1201-1201 (2024).
Assembly members:
entity_1, polymer, 69 residues, Formula weight is not available
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 Vector: pET30a
Entity Sequences (FASTA):
entity_1: MKPVSLSYRCPCRFFESHVA
RANVKHLKILNTPNCALQIV
ARLKNNNRQVCIDPKCKWCQ
EYLEKALNK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 273 |
| 15N chemical shifts | 62 |
| 1H chemical shifts | 433 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CXCL12-LM | 1 |
Entities:
Entity 1, CXCL12-LM 69 residues - Formula weight is not available
| 1 | MET | LYS | PRO | VAL | SER | LEU | SER | TYR | ARG | CYS | ||||
| 2 | PRO | CYS | ARG | PHE | PHE | GLU | SER | HIS | VAL | ALA | ||||
| 3 | ARG | ALA | ASN | VAL | LYS | HIS | LEU | LYS | ILE | LEU | ||||
| 4 | ASN | THR | PRO | ASN | CYS | ALA | LEU | GLN | ILE | VAL | ||||
| 5 | ALA | ARG | LEU | LYS | ASN | ASN | ASN | ARG | GLN | VAL | ||||
| 6 | CYS | ILE | ASP | PRO | LYS | CYS | LYS | TRP | CYS | GLN | ||||
| 7 | GLU | TYR | LEU | GLU | LYS | ALA | LEU | ASN | LYS |
Samples:
sample_1: CXCL12-LM, [U-100% 13C; U-100% 15N], 0.1 mM; sodium phosphate 20 mM; sodium chloride 150 mM; D2O, [U-100% 2H], 10%; DSS 0.15 mM
sample_conditions_1: ionic strength: 150 mM; pH: 7.3; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCACONH | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
Software:
CcpNMR - chemical shift assignment
NMR spectrometers:
- Bruker Avance 600 MHz
Related Database Links:
| PDB |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts