Residues Distance(Å) Eticlopride Residues Distance(Å) Eticlopride
Asn 185 7.6 iii (C8)H2 Ser192 2.3 iii (C8)H2
Asp 110 1.7 i (N21)H Ser192 2.6 iii (C4)H
Asp 110 2.8 ii (N15)H Ser193 3.3 iii (C8)H2
Cys 114 2.6 iii C110 Ser193 2.3 iii (C9)H3
Cys 114 3.4 iii (C12)H3 Ser196 3.1 iii (C4)H
His 349 3.1 ii (C13)O14 Ser196 4.0 iii C110
His 349 2.7 iii (O7)H Thr115 4.1 iii C110
Ile 183 3.1 ii (C13)O14 Thr369 2.1 i (C22)H2
Ile 183 2.6 iii (C1) Thr369 3.2 i (C23)H3
Ile 183 2.8 iii (O7)H Trp342 2.4 i (C23)H3
Leu 89 3.7 i (C19)H2 Trp342 2.9 iii (C12)H3
Phe 106 2.3 i (C19)H2 Tyr365 2.7 i (C18)H2
Phe 106 3.3 i (C20)H2 Tyr365 3.1 i (C17)H
Phe 188 4.2 iii (C8)H2 Tyr373 2.4 i (C20)H2
Phe 188 5.1 iii (C4)H Tyr373 3.4 i (N21)H
Phe 188 5.0 iii (C3) Tyr373 2.6 i (C23)H3
Phe 345 2.6 i (C22)H2 Val107 3.8 i (C19)H2
Phe 345 2.2 ii (C13)O14 Val107 2.7 ii (C16)H2
Phe 345 2.8 iii (O7)H Val111 2.4 iii C110
Phe 345 2.9 iii (C2) Val111 2.9 iii O11
Phe 345 3.4 iii (C12)H3 Val111 2.9 iii C6
Phe 345 3.1 iii (C9)H3 Val111 3.1 iii C5
Phe 346 2.6 iii (C4)H Val189 3.1 iii (C9)H3
Phe 346 3.3 iii C110 Val189 2.4 iii (C8)H2
Phe 346 2.6 iii (C8)H2 Val1350 3.1 iii (C9)H3
Phe 346 2.8 iii (C9)H3 Val82 4.3 i (C20)H2
Ser 182 3.6 i (C18)H2 Val86 3.0 i (C20)H2
Ser 182 4.4 ii (C16)H2 Val86 3.3 i (C19)H2
Table 1: Centroid distances between eticlopride and the amino acid residues at the binding site after inserting and optimizing hydrogen atomic coordinates.