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

Table 4

Hydrogen bonds data showing occupancy with distance cutoff of 5 Å along the MD simulations for 1Z89.

Donor H-X	Acceptor atom of water	1Z89
		Occupancy (%)	Distance (Å)
62P@O18	8106@O	16.50	3.517
62P@S8	8106@O	14.50	3.753
62P@O19	8106@O	14.00	3.723
62P@N4	8106@O	11.50	3.986
62P@C3	8106@O	11.00	3.730