Implication of Crystal Water Molecules in Inhibitor Binding at ALR2 Active Site

Table 5

Hydrogen bonds data showing occupancy with a distance cutoff of 5 Å for 2FZ8 during the MD simulations.

Donor H-X	Acceptor atom of Water	2FZ8
		Occupancy (%)	Distance (Å)
ZST@C9	328@O	53.55	3.730
ZST@N3	328@O	49.73	4.378
ZST@C10	328@O	46.45	4.435
ZST@N1	328@O	36.09	4.614
ZST@O1	328@O	15.00	4.747