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. 2022 Jan 27;17(6):e202100673. doi: 10.1002/cmdc.202100673

Figure 6.

Figure 6

Crystal structure of oxidized EcDsbA in complex with sodium taurocholate (TC). A. Cartoon model of the EcDsbA‐taurocholate complex. Sulfur atoms of redox active Cys30 and Cys33 are shown as orange spheres. α‐helices are shown in light purple and β‐strands are shown in cyan. B. A cluster of residues within 5 Å of taurocholate are shown as sticks and labelled. Sulfur atoms of redox active Cys30 and Cys33 are shown as orange spheres. CPHC active site is indicated in the structure. The distance of polar interactions is labelled and shown as black dashed lines. Water‐mediated hydrogen bond network is shown as yellow dashed lines. C. 2Fo‐Fc electron density map contoured at 1σ is shown as grey mesh. EcDsbA is shown as grey surface. D. Simulated annealing omit σA‐weighted mFo‐DFc electron density map contoured at 3.0σ is shown as blue mesh.