Similar to last round I created several WaterMaps of which I shared:
a holo WM of: “WM-Mpro-x2646_TRY-UNI-714-6”:
For TRY-UNI-714-6 I see 3 areas of improvement:
- Replacing HOH-6 (as in the Xray), highly unfavorable water molecule will be tricky to replace -halogen bond with Cl.
- Replacing HOH-94- merging with BAR-COM-4e0-39 would be an option
- Replacing HOH-218+265
Some ideas from my side to tackle these different objectives will be shared during the next couple of days.