Ligands

Types of interactions with amino acid residues

Hydrogen

bonds

Electrostatics

Hydrophobic

Van der Waals

CETAMf

Asp 72

Trp 84, Phe 330

Tyr 334, Tyr 121, Tyr 70, Ser 122,

His 440, Ser 81, Phe 331

FURb

Trp 84, Phe 330,

Ile 439, Tyr 442

Tyr 121, Gly 118, Phe 330, Ser 200, His 440, Gly 441, Gly 119, Phe 288, Phe 331, Phe 290

DIAZd

Tyr 334

Phe 330, Trp 84

Ser 286, Leu 287, Phe 288, His 440,

Tyr 121, Phe 331, Phe 290, Ile 287, Trp 279

METAZc

Glu 199,

Tyr 121

Tyr 70, Phe 330,

Phe 331, Tyr 334

Ile 444, Asp 72, Ser 200, Tyr 130, Tyr 116, Phe 290, Gly 123, Trp 84, Ser 122, Gly 118

SALa

Trp 84,

Gly 117

Asp 72

Phe 331, Phe 330, Tyr 334, Trp 84, Gly 117, His 440

Ser 200, Phe 290, Ser 200, His 440, Glu 199, Tyr 130, Leu 127, Ser 124, Tyr 116, Gly 123, Gly 118, Ser 122, Asn 85, Tyr 121 Trp 279

METOXe

Phe 330

Trp 84

Trp 84, Phe 330, Phe 331, Tyr 334, Tyr 121, Tyr 70

Ser 81, Asp 72, Ser 122, Gly 118