Table 6: Contacting residues of the receptor within 4.5Å of the ligand in the best pose of each docked ligand-receptor pair. Residue numbering follows the UniProt human PGP entry P08183.

Receptor Ligand Interacting Residues
Wildtype Drug1 Leu244,Tyr247,Arg286,Ile289,Lys290,Ile293,Ala823,Lys826
Wildtype Drug2 Gly141,Ile144,His145,Arg148,Val179,Ser180,Asn183,Asp886,Leu890,Leu924,Pro927,Tyr928,Ser931,Lys934
Wildtype Drug3 Gly141,Ile144,His145,Arg148,Val179,Ser180,Asn183,Asp886,Leu890,Leu924,Pro927,Tyr928,Ser931,Lys934
Wildtype Drug4 Met701,Asn704,Leu705,Trp708,Ile829,Arg832,Leu833
G185V Drug1 Thr422,Leu554,Gln556,Ala557,Thr558,Gln570,Leu573,Asp574,Arg577,Val584,Thr591,Val592,Asn594,Ala595
G185V Drug2 Ile199,Phe303,Tyr307,Asn721,Leu724,Gln725,Ser766,Gln838,Met986,Ala987,Gln990,Val991,Phe994
G185V Drug3 Ile199,Phe303,Tyr307,Asn721,Leu724,Gln725,Ser766,Gln838,Ala987,Gln990,Val991,Phe994
G185V Drug4 Lys291,Ala292,Asn296,Gln773,Phe777,Gly778,Glu782,Lys826,Ser831,Phe994,Ala995,Pro996
R593C Drug1 Leu244,Tyr247,Lys285,Arg286,Ile289,Lys290,Ile293,Thr785,Lys826
R593C Drug2 Thr627,Met628,Gln629,Thr630,Leu688,Phe804,Pro807,Lys808,Asn809,Thr810,Thr811
R593C Drug3 Gln132,Val133,Trp136,Ile190,Glu875,Leu879,Phe938,Thr941,Phe942
R593C Drug4 Gln132,Val133,Trp136,Ile190,Glu875,Leu879,Phe938,Gly939,Thr941,Phe942
E566K Drug1 Leu244,Tyr247,Lys285,Arg286,Ile289,Lys290,Ile293,Thr785,Lys826
E566K Drug2 Gln132,Val133,Trp136,Cys137,Gly187,Ile190,Glu875,Leu879,Phe938,Thr941,Phe942
E566K Drug3 Ile293,Phe777,Gly778,Gly781,Ala823,Gln824,Lys826,Gly827,Ile829,Gly830,Phe994,Ala995,Pro996
E566K Drug4 Ser831,Ala834,Val835,Gln838,Gln990,Val991,Ser992,Ser993,Phe994,Ala995,Pro996,Asp997,Tyr998
Q1107P Drug1 Tyr247,Glu282,Arg286,Lys290,Gly781,Glu782,Thr785,Arg789,Ala823,Gln824,Lys826
Q1107P Drug2 Asp689,Glu690,Ser691,Ile692,Lys808,Asn809,Ala813,Leu814,Thr816,Arg817,His1007,Met1010,Ile1011
Q1107P Drug3 Val133,Trp136,Cys137,Glu875,Leu879,Lys934,Phe938,Thr941,Phe942
Q1107P Drug4 Ser831,Ala834,Val835,Gln838,Gln990,Val991,Ser992,Ser993,Phe994,Ala995,Pro996,Asp997,Tyr998
A999T Drug1 Leu244,Tyr247,Glu282,Arg286,Ile289,Lys290,Ile293,Thr785,Arg789,Ala823,Lys826
A999T Drug2 Ala259,Ala260,Ile261,Arg262,Thr630,Leu688,Phe804,Pro807,Lys808,Asn809,Thr810,Thr811,Leu814
A999T Drug3 Ser831,Ala834,Val835,Gln838,Gln990,Val991,Ser993,Phe994,Ala995,Pro996,Asp997,Tyr998
A999T Drug4 Ser831,Ala834,Val835,Gln838,Gln990,Val991,Ser992,Ser993,Phe994,Ala995,Pro996,Asp997,Tyr998