BMRB Entry 34176
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR34176
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Title: NMR solution structure of murine CXCL12 gamma isoform
Deposition date: 2017-09-15 Original release date: 2018-10-02
Authors: Laguri, C.; Lortat-Jacob, H.; SImorre, J.
Citation: Laguri, C.; Lortat-Jacob, H.; SImorre, J.. "NMR solution structure of murine CXCL12 gamma isoform" . ., .-..
Assembly members:
entity_1, polymer, 98 residues, 11611.919 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 BL21(DE3)
Entity Sequences (FASTA):
entity_1: KPVSLSYRCPCRFFESHIAR
ANVKHLKILNTPNCALQIVA
RLKNNNRQVCIDPKLKWIQE
YLEKALNKGRREEKVGKKEK
IGKKKRQKKRKAAQKRKN
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 373 |
| 15N chemical shifts | 103 |
| 1H chemical shifts | 545 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 98 residues - 11611.919 Da.
| 1 | LYS | PRO | VAL | SER | LEU | SER | TYR | ARG | CYS | PRO | ||||
| 2 | CYS | ARG | PHE | PHE | GLU | SER | HIS | ILE | ALA | ARG | ||||
| 3 | ALA | ASN | VAL | LYS | HIS | LEU | LYS | ILE | LEU | ASN | ||||
| 4 | THR | PRO | ASN | CYS | ALA | LEU | GLN | ILE | VAL | ALA | ||||
| 5 | ARG | LEU | LYS | ASN | ASN | ASN | ARG | GLN | VAL | CYS | ||||
| 6 | ILE | ASP | PRO | LYS | LEU | LYS | TRP | ILE | GLN | GLU | ||||
| 7 | TYR | LEU | GLU | LYS | ALA | LEU | ASN | LYS | GLY | ARG | ||||
| 8 | ARG | GLU | GLU | LYS | VAL | GLY | LYS | LYS | GLU | LYS | ||||
| 9 | ILE | GLY | LYS | LYS | LYS | ARG | GLN | LYS | LYS | ARG | ||||
| 10 | LYS | ALA | ALA | GLN | LYS | ARG | LYS | ASN |
Samples:
sample_1: CXCL12 gamma isoform, [U-99% 13C; U-99% 15N], 1 ± 0.2 mM; Na Phosphate buffer 20 mM
sample_conditions_1: ionic strength: 20 mM; pH: 5.7; pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY methyls | sample_1 | isotropic | sample_conditions_1 |
Software:
ARIA, Linge, O'Donoghue and Nilges - structure calculation
CNS, Brunger A. T. et.al. - refinement
CYANA, Guntert, Mumenthaler and Wuthrich - peak picking
CcpNMR, CCPN - chemical shift assignment
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Varian 600 Direct Drive 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts