Structural and functional characterization of the novel endo-α(1,4)-fucoidanase Mef1 from the marine bacterium Muricauda eckloniae

Mikkelsen, M.D.; Tran, V.H.N.; Meier, S.; Nguyen, T.T.; Holck, J.; Cao, H.T.T.; Van, T.T.T.; Thinh, P.D.; Meyer, A.S.; Morth, J.P.

doi:10.1107/S2059798323008732

Acta Crystallographica Section D
Acta Crystallographica
Section D STRUCTURAL BIOLOGY

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Figure 6
Molecular docking showing the binding mode of Mef1 and a hexameric fucoidan molecule (harboring the tetrasaccharide product). (a) Structural model of the Mef1 surface with the hexameric fucoidan ligand shown as a stick model; the water wire (red spheres) and calcium ions (orange spheres) are also shown. (b) A close-up of the CAPSO (transparent blue) and the ethylene glycol (EG; transparent blue) positions; after docking, the CAPSO (equivalent to CAPSO 1 in Fig. 3

h) and EG remain superimposed with the hexameric fucoidan molecule. (c) Magnification of a stick model of the active-site residues in close proximity to the fucoidan hexamer, with the scissile α(1,4)-bond indicated by a blue arrow. The CAPSO and EG positions are presented as transparent blue sticks.

STRUCTURAL
BIOLOGY

ISSN: 2059-7983

Volume 79| Part 11| November 2023| Pages 1026-1043

https://doi.org/10.1107/S2059798323008732

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