BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 15215

Title: Solution structure of the alternative conformation of XCL1/Lymphotactin   PubMed: 17302442

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

Data sets:
Data typeCount
13C chemical shifts344
15N chemical shifts85
1H chemical shifts461

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1XCL11

Entities:

Entity 1, XCL1 93 residues - 10289.896 Da.

1   VALGLYSERGLUVALSERASPLYSARGTHR
2   CYSVALSERLEUTHRTHRGLNARGLEUPRO
3   VALSERARGILELYSTHRTYRTHRILETHR
4   GLUGLYSERLEUARGALAVALILEPHEILE
5   THRLYSARGGLYLEULYSVALCYSALAASP
6   PROGLNALATHRTRPVALARGASPVALVAL
7   ARGSERMETASPARGLYSSERASNTHRARG
8   ASNASNMETILEGLNTHRLYSPROTHRGLY
9   THRGLNGLNSERTHRASNTHRALAVALTHR
10   LEUTHRGLY

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:

NameSampleSample stateSample conditions
3D 15N-separated NOESYsample_1isotropicsample_conditions_1
3D 13C-separated NOESYsample_1isotropicsample_conditions_1
3D 13C-F1-filtered 13C-F3-separateded NOESYsample_2isotropicsample_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