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This second ligand-binding pocket is separated from the first 5′-phosphate-binding pocket by only two invariant lysines, Lys 599 and Lys 638, which thus participate simultaneously in coordinating both sulphate ions (Fig 3A,B).
The binding pocket is indicated as an exclusion surface.
The positively charged binding pocket is not big enough for ANP binding.
Moreover, a new binding pocket is also explored.
Docked ligand conformation, is presented with sticks and the binding pocket is shown as surface.
Replacement of water from the uncomplexed binding pocket is assumed to be entropically favorable.
The negatively charged binding pocket is not big enough for ATP (Fig. 2B).
The volume of the binding pocket is 495 Å.
Four binding pockets are marked as A, B, C, and D. Another binding pocket is marked as LBD.
The substrate binding pocket is shallow, dynamic, and solvent-exposed, as was discovered with HCV protease.
Then, a binding pocket was generated.
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