Structural Analysis of a Novel
Small Molecule Ligand
Bound to the CXCL12 Chemokine
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Abstract
CXCL12
binds to CXCR4, promoting both chemotaxis of lymphocytes
and metastasis of cancer cells. We previously identified small molecule
ligands that bind CXCL12 and block CXCR4-mediated chemotaxis. We now
report a 1.9 Å resolution X-ray structure of CXCL12 bound by
such a molecule at a site normally bound by sY21 of CXCR4. The complex
structure reveals binding hot spots for future inhibitor design and
suggests a new approach to targeting CXCL12–CXCR4 signaling
in drug discovery