Endocrine disruption: In silico perspectives of interactions of di-(2-ethylhexyl)phthalate and its five major metabolites with progesterone receptor

Table 3 Amino-acid residues of human progesterone receptor that were common among co-complex natural ligand, norethindrone (NET), and di-(2-ethylhexyl)phthalate (DEHP) and its five major metabolites, mono-(2-ethylhexyl)phthalate (MEHP), mono-(2-ethyl-5-hydroxyhexyl)phthalate (5-OH-MEHP), mono-(2-ethyl-5-oxyhexyl)phthalate (5-oxo-MEHP), mono-(2-ethyl-5-carboxypentyl)phthalate (5-cx-MEPP), and mono-[2-(carboxymethyl)hexyl]phthalate (2-cx-MMHP)

S. no	Interacting residue	S. no	Interacting residue
1	Leu-715^a	12	Phe-778
2	Leu-718	13	Leu-797
3	Asn-719	14	Met-801
4	Leu-721	15	Leu-887
5	Gly-722^b	16	Tyr-890
6	Gln-725	17	Cys-891
7	Met-756	18	Thr-894^a
8	Met-759	19	Met-909
9	Val-760
10	Leu-763
11	Arg-766

Amino-acid residues indicated by superscript ^a were not shared by MEHP and the residue indicated by superscript ^b was not shared by 5-OH-MEHP

ISSN: 1472-6807