Structural basis for the inhibition of Mycobacterium tuberculosis l,d-transpeptidase by meropenem, a drug effective against extensively drug-resistant strains

Kim, H.S.; Kim, J.; Im, H.N.; Yoon, J.Y.; An, D.R.; Yoon, H.J.; Kim, J.Y.; Min, H.K.; Kim, S.-J.; Lee, J.Y.; Han, B.W.; Suh, S.W.

doi:10.1107/S0907444912048998

Figure 6
Meropenem-inactivated Ldt_Mt2Δ130. (a) Electron-density map (left) and a schematic diagram of interactions (right) of the covalently bound meropenem adduct with Cys354 in meropenem-complexed Ldt_Mt2Δ130 (chain B). The OMIT mF_o − DF_c map (contoured at 2.5σ) for meropenem and the 2mF_o − DF_c map (contoured at 1.0σ) for Cys354 are coloured blue and yellow, respectively. Dotted lines denote interactions with Ldt_Mt2Δ130 and the corresponding bond lengths are shown in Å. Variable regions (R¹, R² and R³) of carbapenems are shaded in green, blue and red, respectively. (b) Interactions of the bound meropenem with Tyr318 (left) and Tyr308 (right). Dotted lines and the electron-density map are presented as in (a). (c) Surface representation (left) and ribbon diagram (right) of the active site of Ldt_Mt2Δ130 enclosing the meropenem adduct viewed along Path B. The β14–β15 loop, the β15–β16 loop and the active-site lid, which surround the bound meropenem, are coloured plum, orange and green, respectively. (d) Surface representation (left) and ribbon diagram (right) of the active site in the meropenem-complexed Ldt_Mt2Δ130 viewed along Path A presented as in (c).

BIOLOGICAL
CRYSTALLOGRAPHY

ISSN: 1399-0047

Volume 69| Part 3| February 2013| Pages 420-431

doi:10.1107/S0907444912048998

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