BMRB Entry 15215
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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/BMR15215
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Title: Solution structure of the alternative conformation of XCL1/Lymphotactin PubMed: 17302442
Deposition date: 2007-04-17 Original release date: 2007-10-29
Authors: Volkman, B.; Tuinstra, R.; Peterson, F.
Citation: Tuinstra, R.; Peterson, F.; Elgin, E.; Pelzek, A.; Volkman, B.. "An engineered second disulfide bond restricts lymphotactin/XCL1 to a chemokine-like conformation with XCR1 agonist activity" Biochemistry 46, 2564-2573 (2007).
Assembly members:
XCL1, polymer, 93 residues, 10289.896 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):
XCL1: VGSEVSDKRTCVSLTTQRLP
VSRIKTYTITEGSLRAVIFI
TKRGLKVCADPQATWVRDVV
RSMDRKSNTRNNMIQTKPTG
TQQSTNTAVTLTG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 344 |
| 15N chemical shifts | 85 |
| 1H chemical shifts | 461 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | XCL1 | 1 |
Entities:
Entity 1, XCL1 93 residues - 10289.896 Da.
| 1 | VAL | GLY | SER | GLU | VAL | SER | ASP | LYS | ARG | THR | ||||
| 2 | CYS | VAL | SER | LEU | THR | THR | GLN | ARG | LEU | PRO | ||||
| 3 | VAL | SER | ARG | ILE | LYS | THR | TYR | THR | ILE | THR | ||||
| 4 | GLU | GLY | SER | LEU | ARG | ALA | VAL | ILE | PHE | ILE | ||||
| 5 | THR | LYS | ARG | GLY | LEU | LYS | VAL | CYS | ALA | ASP | ||||
| 6 | PRO | GLN | ALA | THR | TRP | VAL | ARG | ASP | VAL | VAL | ||||
| 7 | ARG | SER | MET | ASP | ARG | LYS | SER | ASN | THR | ARG | ||||
| 8 | ASN | ASN | MET | ILE | GLN | THR | LYS | PRO | THR | GLY | ||||
| 9 | THR | GLN | GLN | SER | THR | ASN | THR | ALA | VAL | THR | ||||
| 10 | LEU | THR | GLY |
Samples:
sample_1: XCL1, [U-100% 13C; U-100% 15N], 1.0 mM; sodium phosphate 20 mM
sample_2: XCL1, [U-100% 13C; U-100% 15N], 0.6 mM; XCL1 0.6 mM; sodium phosphate 20 mM
sample_conditions_1: ionic strength: 22 mM; pH: 6.0; pressure: 1 atm; temperature: 313 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 15N-separated NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 13C-separated NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 13C-F1-filtered 13C-F3-separateded NOESY | sample_2 | isotropic | sample_conditions_1 |
Software:
X-PLOR NIH v2.9.3, SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. - refinement
xwinnmr v3.5, Bruker - collection
NMRPipe v2004, Delagio,F. et al. - processing
XEASY v1.3, Eccles, C., Guntert, P., Billeter, M., Wuthrich, K. - data analysis
SPSCAN v1.1.0, R.W. Glaser - data analysis
GARANT v2.1, C. Bartels - data analysis
CYANA v2.1, Guntert, P. - structural calculation
NMR spectrometers:
- Bruker DRX 600 MHz
Related Database Links:
| BMRB | 15110 25693 |
| PDB | |
| DBJ | BAA07825 BAA09858 BAA09859 BAJ20778 |
| EMBL | CAA60198 |
| GB | AAC50164 AAH69360 AAH69817 AAH70308 AAH70309 |
| REF | NP_002986 NP_003166 XP_003824662 XP_004027907 XP_009436138 |
| SP | P47992 Q9UBD3 |
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