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Figure 6
MD study of MtEno complexes. (a) Binding free energy values of all three complexes calculated through MM/GBSA. (b) The comparative RMSD and RMSF analyses of the loop 1 region in 2PG-canonical-bound (green), 2PG-alternate-bound (blue) and PEP-canonical-bound (magenta) MtEno complexes. (c) Average hydrogen-bonding interactions in all three complexes during dynamics. (d) Hydrogen-bond occupancy of catalytic residues in all three complexes.

IUCrJ
Volume 10| Part 6| November 2023| Pages 738-753
ISSN: 2052-2525
https://doi.org/10.1107/S2052252523008485