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. Author manuscript; available in PMC: 2016 Aug 4.
Published in final edited form as: Structure. 2015 Jul 16;23(8):1470–1481. doi: 10.1016/j.str.2015.06.009

Figure 2. Crystal structures of E. coli RNAP holoenzyme in complex with CBR inhibitors.

Figure 2

Upper panels (A-C), data for the CBR hydroxamidine CBR703.

Lower panels (D-F), data for the CBR pyrazole CBRP18.

(A),(D) Structure of E. coli RNAP holoenzyme in complex with the CBR inhibitor. Gray ribbon: RNAP core. Yellow ribbon: σ70. Violet sphere: active-center catalytic Mg2+. Green: CBR inhibitor.

(B),(E) Contacts between RNAP and the CBR inhibitor(stereodiagram). Green mesh: NCS-averaged mFo-DFc electron density omit map for the CBR inhibitor (contoured at 2.5σ). Green, red, blue, and cyan: carbon, oxygen, nitrogen, and fluorine atoms of the CBR inhibitor. Gray ribbons: RNAP. Gray helical ribbon: RNAP bridge helix (N-terminus at right).

(C),(F) Schematic summary of inferred contacts between RNAP and the CBR inhibitor. Red dashed lines: H-bonds. Blue arcs: van der Waals interactions.