BMRB Entry 30445
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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/BMR30445
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Title: The NMR solution structure of CCL28 PubMed: 29913161
Deposition date: 2018-03-30 Original release date: 2018-06-26
Authors: Thomas, M.; Peterson, F.; Volkman, B.
Citation: Thomas, M.; He, J.; Peterson, F.; Suppler, A.; Volkman, B.. "The Solution Structure of CCL28 Reveals Structural Lability that Does Not Constrain Antifungal Activity." J. Mol. Biol. 430, 3266-3282 (2018).
Assembly members:
entity_1, polymer, 108 residues, 12394.421 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: Aphyosemion etsamense
Entity Sequences (FASTA):
entity_1: SEAILPIASSCCTEVSHHIS
RRLLERVNMCRIQRADGDCD
LAAVILHVKRRRICVSPHNH
TVKQWMKVQAAKKNGKGNVC
HRKKHHGKRNSNRAHQGKHE
TYGHKTPY
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 434 |
| 15N chemical shifts | 111 |
| 1H chemical shifts | 701 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 108 residues - 12394.421 Da.
| 1 | SER | GLU | ALA | ILE | LEU | PRO | ILE | ALA | SER | SER | ||||
| 2 | CYS | CYS | THR | GLU | VAL | SER | HIS | HIS | ILE | SER | ||||
| 3 | ARG | ARG | LEU | LEU | GLU | ARG | VAL | ASN | MET | CYS | ||||
| 4 | ARG | ILE | GLN | ARG | ALA | ASP | GLY | ASP | CYS | ASP | ||||
| 5 | LEU | ALA | ALA | VAL | ILE | LEU | HIS | VAL | LYS | ARG | ||||
| 6 | ARG | ARG | ILE | CYS | VAL | SER | PRO | HIS | ASN | HIS | ||||
| 7 | THR | VAL | LYS | GLN | TRP | MET | LYS | VAL | GLN | ALA | ||||
| 8 | ALA | LYS | LYS | ASN | GLY | LYS | GLY | ASN | VAL | CYS | ||||
| 9 | HIS | ARG | LYS | LYS | HIS | HIS | GLY | LYS | ARG | ASN | ||||
| 10 | SER | ASN | ARG | ALA | HIS | GLN | GLY | LYS | HIS | GLU | ||||
| 11 | THR | TYR | GLY | HIS | LYS | THR | PRO | TYR |
Samples:
sample_1: CCL28, [U-99% 13C; U-99% 15N], 0.7 mM; MES, [U-99% 2H], 25 mM; sodium azide 0.02%
sample_conditions_1: ionic strength: 15 mM; pH: 6.2; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v2.6, Bruker Biospin - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
XEASY, Bartels et al. - data analysis
GARANT, Bartels, Guntert, Billeter and Wuthrich - chemical shift assignment
CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - geometry optimization
NMR spectrometers:
- Bruker DRX 600.13 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts