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Figure 5
Temperature-dependent difference in compound binding mode. The RT structure from crystals soaked with compound 7 is compared with the RT apo structure and the cryo-T structure in complex with compound 7. (a) In the RT structure of sEH obtained from crystals soaked with compound 7, the active-site density is best fitted with a PEG fragment (PDB entry 8qwg). (b) RT apo structure with a PEG fragment bound in the active site (PDB entry 8qvm). (c) In the cryo-T structure from crystals soaked with compound 7 (PDB entry 5ai8; Öster et al., 2015BB35), the compound is bound as well as a sulfate ion and a water molecule. For each structure, the 2FoFc electron density map is contoured at 1σ (blue) and the FoFc electron density map at +3.5σ (green).

IUCrJ
Volume 11| Part 5| September 2024| Pages 831-842
ISSN: 2052-2525
https://doi.org/10.1107/S2052252524006134