Common structural interactions between the receptors CXCR3, CXCR4 and CXCR7 complexed with their natural ligands, CXCL11 and CXCL12, by a modeling approach

Cytokine

Volumn 64, Issue 1, 2013, Pages 316-321

  Costantini, Susan ^a   Raucci, Raffaele ^b   De Vero, Teresa ^b   Castello, Giuseppe ^a   Colonna, Giovanni ^b  

^a NATIONAL CANCER INSTITUTE   (Italy)

^b SECOND UNIVERSITY OF NAPLES   (Italy)

Author keywords

CXCL11; CXCL12; CXCR3; CXCR4; CXCR7

Indexed keywords

CHEMOKINE RECEPTOR CXCR3; CHEMOKINE RECEPTOR CXCR4; CHEMOKINE RECEPTOR CXCR7; CXCL11 CHEMOKINE; STROMAL CELL DERIVED FACTOR 1;

AMINO TERMINAL SEQUENCE; ARTICLE; BINDING AFFINITY; CARBOXY TERMINAL SEQUENCE; COMPLEX FORMATION; HYDROPHOBICITY; MOLECULAR MODEL; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN INTERACTION; PROTEIN STRUCTURE; SEQUENCE ANALYSIS;

CXCL11; CXCL12; CXCR3; CXCR4; CXCR7;

AMINO ACID SEQUENCE; ANIMALS; CATTLE; CELL LINE, TUMOR; CHEMOKINE CXCL11; CHEMOKINE CXCL12; HUMANS; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; NEOPLASMS; PROTEIN BINDING; RECEPTORS, CXCR; RECEPTORS, CXCR3; RECEPTORS, CXCR4; RHODOPSIN; SEQUENCE ALIGNMENT; SEQUENCE ANALYSIS, PROTEIN; STATIC ELECTRICITY;

EID: 84883552834     PISSN: 10434666     EISSN: 10960023     Source Type: Journal    
DOI: 10.1016/j.cyto.2013.05.024     Document Type: Article

References (33)

1. Howard O.M., Ben-Baruch A., Oppenheim J.J. Chemokines: progress toward identifying molecular targets for therapeutic agents. Trends Biotechnol 1996, 14:46-51.
2. Baggiolini M. Chemokines and leukocyte traffic. Nature 1998, 392:565-568.
3. Luster A.D. Chemokines - chemotactic cytokines that mediate inflammation. New Engl J Med 1998, 338:436-445.
4. Romagnani P., Lasagni L., Annunziato F., Serio M., Romagnani S. CXC chemokines: the regulatory link between inflammation and angiogenesis. Trends Immunol 2004, 25:201-209.
5. Horuk R. Chemokine receptors. Cytokine Growth Factor Rev 2001, 12:313-335.
6. Balkwill F. Cancer and the chemokine network. Nat Rev Cancer 2004, 4:540-550.
7. Duda D.G., Kozin S.V., Kirkpatrick N.D., Xu L., Fukumura D., Jain R.K. CXCL12 (SDF1alpha)-CXCR4/CXCR7 pathway inhibition: an emerging sensitizer for anticancer therapies?. Clin Cancer Res 2011, 17:2074-2080.
8. Sun X., Cheng G., Hao M., Zheng J., Zhou X., Zhang J., et al. CXCL12/CXCR4/CXCR7 chemokine axis and cancer progression. Cancer Metast Rev 2010, 29:709-722.
9. Datta D., Flaxenburg J.A., Laxmanan S., Geehan C., Grimm M., Waaga-Gasser A.M., et al. Ras-induced modulation of CXCL10 and its receptor splice variant CXCR3-B in MDA-MB-435 and MCF-7 cells: relevance for the development of human breast cancer. Cancer Res 2006, 66:9509-9518.
10. Lasagni L., Francalanci M., Annunziato F., Lazzeri E., Giannini S., Cosmi L., et al. An alternatively spliced variant of CXCR3 mediates the inhibition of endothelial cell growth induced by IP-10, Mig, and I-TAC, and acts as functional receptor for platelet factor 4. J Exp Med 2003, 197:1537-1549.
11. Hermann P.C., Huber S.L., Herrler T., Aicher A., Ellwart J.W., Guba M., et al. Distinct populations of cancer stem cells determine tumor growth and metastatic activity in human pancreatic cancer. Cell Stem Cell 2007, 1:313-323.
12. Miki J., Furusato B., Li H., Gu Y., Takahashi H., Egawa S., et al. Identification of putative stem cell markers, CD133 and CXCR4, in hTERT-immortalized primary nonmalignant and malignant tumor-derived human prostate epithelial cell lines and in prostate cancer specimens. Cancer Res 2007, 67:3153-3161.
13. Singh A.K., Arya R.K., Trivedi A.K., Sanyal S., Baral R., Dormond O., et al. CXCR4 e CXCR7 crosstalk via CXCL11 and CXCL12. Cytokine Growth Factor Rev 2012.
14. Wu B., Chien E.Y., Mol C.D., Fenalti G., Liu W., Katritch V., et al. Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists. Science 2010, 330:1066-1071.
15. Trotta T., Costantini S., Colonna G. Modeling of the membrane receptor CXCR3 and its complexes with CXCL9, CXCL10 and CXCL11 chemokines: Putative target for new drug design. Mol Immunol 2009, 47:332-339.
16. Palladino P., Portella L., Colonna G., Raucci R., Saviano G., Rossi F., et al. The N-terminal peptide of CXCL11 as structural template for CXCR3 antagonist: synthesis, conformational analysis and binding studies. Chem Biol Drug Des 2012, 80:254-265.
17. Palczewski K., Kumasaka T., Hori T., Behnke C.A., Motoshima H., Fox B.A., et al. Crystal structure of rhodopsin: a G protein-coupled receptor. Science 2000, 289:739-745.
18. Autiero I., Costantini S., Colonna G. Human sirt-1: molecular modeling and structure-function relationships of an unordered protein. PLoS One 2009, 4:e7350.
19. Thompson J.D., Higgins D.G., Gibson T. CLUSTAL W: improving the sensitivity of progressive multiple sequence alignment through sequence weighting, position-specific gap penalties and weight matrix choice. Nucleic Acids Res 1994, 2:4673-4680.
20. Sali A., Blundell T.L. Comparative protein modeling by satisfaction of spatial restraints. J Mol Biol 1993, 234:779-815.
21. Sippl M.J. Recognition of errors in three-dimensional structures of proteins. Proteins 1993, 17:355-362.
22. Laskowski R.A., MacArthur M.W., Moss D.S., Thornton J.M. PROCHECK: a program to check the stereochemical quality of protein structures. J Appl Cryst 1993, 26:283-291.
23. Kabsch W., Sander C. Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features. Biopolymers 1983, 2:2577-2637.
24. Schneidman-Duhovny D., Inbar Y., Nussinov R., Wolfson H.J. PatchDock and SymmDock: servers for rigid and symmetric docking. Nucleic Acids Res 2005, 33:W363-W367.
25. Booth V., Clark-Lewis I., Sykes B.D. NMR structure of CXCR3 binding chemokine CXCL11 (ITAC). Protein Sci 2004, 13:2022-2028.
26. Murphy J.W., Yuan H., Kong Y., Xiong Y., Lolis E.J. Heterologous quaternary structure of CXCL12 and its relationship to the CC chemokine family. Proteins 2010, 78:1331-1337.
27. Mashiach E., Nussinov R., Wolfson H.J. FiberDock: a web server for flexible induced-fit backbone refinement in molecular docking. Nucleic Acids Res 2010, 38:W457-W461.
28. Vangone A., Spinelli R., Scarano V., Cavallo L., Oliva R. COCOMAPS: a web application to analyze and visualize contacts at the interface of biomolecular complexes. Bioinformatics 2011, 27:2915-2916.
29. Costantini S., Colonna G., Facchiano A.M. ESBRI: a software for evaluating the salt bridges in proteins. Bioinformation 2008, 3:137-139.
30. Liu S., Zhang C., Zhou H., Zhou Y. A physical reference state unifies the structure-derived potential of mean force for protein folding and binding. Proteins 2004, 56:93-101.
31. Garin A., Tarantino N., Faure S., Daoudi M., Lécureuil C., Bourdais A., et al. Two novel fully functional isoforms of CX3CR1 are potent HIV coreceptors. J Immunol 2003, 171:5305-5312.
32. Zhu B., Xu D., Deng X., Chen Q., Huang Y., Peng H., et al. CXCL12 enhances human neural progenitor cell survival through a CXCR7- and CXCR4-mediated endocytotic signaling pathway. Stem Cells 2012, 30:2571-2583.
33. Horuk R. Chemokine receptor antagonists: overcoming developmental hurdles. Nat Rev Drug Discov 2009, 8:23-33.