BMRB Entry 19601
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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/BMR19601
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Title: Solution structure of CXCL5 PubMed: 24695525
Deposition date: 2013-11-04 Original release date: 2014-03-31
Authors: Sepuru, Krishna Mohan; Rajarathnam, Krishna
Citation: Sepuru, Krishna Mohan; Poluri, Krishna Mohan; Rajarathnam, Krishna. "Solution Structure of CXCL5 - A Novel Chemokine and Adipokine Implicated in Inflammation and Obesity." PLoS ONE 9, e93228-e93228 (2014).
Assembly members:
entity, polymer, 78 residues, 7830.323 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: Escherichia coli
Entity Sequences (FASTA):
entity: AGPAAAVLRELRCVCLQTTQ
GVHPKMISNLQVFAIGPQCS
KVEVVASLKNGKEICLDPEA
PFLKKVIQKILDGGNKEN
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 138 |
| 15N chemical shifts | 70 |
| 1H chemical shifts | 230 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
| 2 | entity_2 | 1 |
Entities:
Entity 1, entity_1 78 residues - 7830.323 Da.
| 1 | ALA | GLY | PRO | ALA | ALA | ALA | VAL | LEU | ARG | GLU | ||||
| 2 | LEU | ARG | CYS | VAL | CYS | LEU | GLN | THR | THR | GLN | ||||
| 3 | GLY | VAL | HIS | PRO | LYS | MET | ILE | SER | ASN | LEU | ||||
| 4 | GLN | VAL | PHE | ALA | ILE | GLY | PRO | GLN | CYS | SER | ||||
| 5 | LYS | VAL | GLU | VAL | VAL | ALA | SER | LEU | LYS | ASN | ||||
| 6 | GLY | LYS | GLU | ILE | CYS | LEU | ASP | PRO | GLU | ALA | ||||
| 7 | PRO | PHE | LEU | LYS | LYS | VAL | ILE | GLN | LYS | ILE | ||||
| 8 | LEU | ASP | GLY | GLY | ASN | LYS | GLU | ASN |
Samples:
sample_1: entity, [U-100% 13C; U-100% 15N], 0.4 mM; sodium phosphate 50 mM; sodium azide 0.01%; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 50 mM; pH: 6.0; pressure: 1 atm; temperature: 298.15 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 HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
ARIA v2.3, Linge, O, . - structure solution
CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution
SPARKY, Goddard - data analysis, peak picking
TOPSPIN, Bruker Biospin - collection, processing
NMR spectrometers:
- Bruker Avance 800 MHz
- Bruker Avance 600 MHz
Related Database Links:
| PDB | |
| DBJ | BAG35064 BAJ20338 |
| EMBL | CAA55355 CAC42884 CAG33709 |
| GB | AAA62475 AAA86426 AAH08376 AAK29641 AAP35453 |
| PRF | 2104290A |
| REF | NP_002985 XP_002814910 XP_003832377 XP_004038864 |
| SP | P42830 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts