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

Table 1

Table showing PDB ID of complexes and their inhibitors and water molecules in the active site.

PDB ID	Ligand	Ligand atom ID	Water molecule ID
1AZ1	Alrestatin	O21	HOH669
1PWL	Minalrestat	O	HOH2323
1PWM	Fidarestat	F17; N21	HOH1654; HOH1552 & 1774
1IEI	Zenarestat	O34	HOH477
1T40	IDD552	O16	HOH738
1T41	IDD552	O16	HOH5004
1Z89	Sulfonyl pyridazinone	O18	HOH1147
1Z8A	Sulfonyl pyridazinone	O18	HOH1179 & 1268
2ACQ	G6P	G6P317	HOH460
2ACU	CIT	CIT317	HOH319
2FZ8	Zopolrestat	O1	HOH1082
2FZD	Tolrestat	S1; F3	HOH355 & 389; HOH487
2PD5	Zopolrestat	O1	HOH748
2PD9	Fidarestat	N21	HOH624&816
2PDF	Zopolrestat	O1	HOH815
2PDI	Zopolrestat	O1	HOH736 & 687
2PDM	Zopolrestat	O1	HOH782
2PDW	Fidarestat	N21	HOH 750 & 615
2PDX	Zopolrestat	O1	HOH 691
2PDY	Fidarestat	N21	HOH 617
3H4G	Fidarestat	N21	HOH 2275
3G5E	Q74	N24	HOH 698