Thursday, September 19, 2013
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Crystal structure of a
ternary complex including bacitracin A
to guide analog development
A crystal structure of the
peptide antibiotic bacitracin A in complex with zinc and a geranyl
pyrophosphate ligand could help inform the rational design of new topical
antibiotics. The structure of bacitracin A in complex with zinc and geranyl
pyrophosphate was solved at 1.1 Å resolution. The structure showed that
bacitracin A envelopes the pyrophosphate group of its ligand and zinc ion.
The structure also showed that direct bacitracin A-ligand interactions are
mediated by hydrogen bonds between the peptide backbone and side chain amide
groups of bacitracin A with oxygen atoms of the ligand. Next steps include
using the structural information to rationally design and generate candidate
molecules for affinity and activity testing.
Published online Sept. 19, 2013
Unpatented; available for
Economou, N.J. et al.
Proc. Natl. Acad. Sci. USA; published online Aug. 12, 2013;
Contact: Patrick J. Loll, Drexel University College of Medicine,
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