2f4v
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30S ribosome + designer antibiotic
OverviewOverview
The X-ray crystal structures for the complexes of three designer, antibiotics, compounds 1, 2, and 3, bound to two models for the ribosomal, aminoacyl-tRNA site (A site) at 2.5-3.0 Angstroms resolution and that of, neamine at 2.8 Angstroms resolution are described. Furthermore, the, complex of antibiotic 1 bound to the A site in the entire 30S ribosomal, subunit of Thermus thermophilus is reported at 3.8 Angstroms resolution., Molecular dynamics simulations revealed that the designer compounds, provide additional stability to bases A1492 and A1493 in their, extrahelical forms. Snapshots from the simulations were used for free, energy calculations, which revealed that van der Waals and hydrophobic, effects were the driving forces behind the binding of designer antibiotic, 3 when compared to the parental neamine.
About this StructureAbout this Structure
2F4V is a Protein complex structure of sequences from Thermus thermophilus with ZN, MG, K, D2C and AB9 as ligands. Full crystallographic information is available from OCA.
ReferenceReference
Interactions of designer antibiotics and the bacterial ribosomal aminoacyl-tRNA site., Murray JB, Meroueh SO, Russell RJ, Lentzen G, Haddad J, Mobashery S, Chem Biol. 2006 Feb;13(2):129-38. PMID:16492561
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