Table 5: Ligand interactions report.
1EAG: hydrolase/hydrolase inhibitor/1EAG
Ligand Receptor Interaction Distance E (kcal/mol)
O 50 OD1 ASP 32 (A) H-donor 3.08 −0.3
O 50 OD2 ASP 32 (A) H-donor 3.63 −0.5
O 52 OD2 ASP 218 (A) H-donor 2.97 0.3
O 50 OD2 ASP 218 (A) H-acceptor 2.63 −2.4
C 42 6-ring TYR 84 (A) H-pi 4.46 −0.2
6-ring ND2 ASN 131 (A) pi-H 4.58 −0.3