Human sex hormone-binding globulin as a potential target of alternate plasticizers: an in silico study

BMC Structural Biology

Table 3 Amino-acid residues of human sex hormone-binding globulin (SHBG) that were common among co-complex natural ligand, dihydrotestosterone (DHT), and alternate plasticizers, di(2-ethylhexyl)terephthalate (DEHT), tris(2-ethylhexyl)trimellitate (TOTM), and diisononyl hexahydrophthalate (DINCH)

S.No.	Common interacting residues	S.No.	Common interacting residues
1	Thr-40	11	Asn-82
2	Ser-41	12	Val-105
3	Ser-42	13	Lys-106
4	Phe-56	14	Met-107
5	Gly-58	15	Val-112
6	Asp-59^a	16	Ser-128
7	Thr-60	17	Met-139
8	Trp-66^b	18	ILe-141
9	Phe-67	19	Leu-171
10	Leu-80

Amino-acid residue indicated by superscript (^a) was not shared by DEHT and the residue indicated by superscript (^b) was not shared by TOTM

ISSN: 1472-6807