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(a) The structure of N,N,N-trimethyl-d-glucosamine-chitotriomycin (TMG-chitotriomycin). (b) The homodimer structure of the TMG-chitotriomycin-OfHex1 complex. The loop L478-496 is stable because of the numerous interactions. (c) Structure comparison of conventional molecular dynamics (CMD)1 (yellow), CMD2 (blue), CMD3 (purple), and crystal complex (green). (d) A close view of TMG-chitotriomycin bound in OfHex1 from CMD1. Important residues are marked in purple.
