Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
Ribbon and stick depictions of results of ligand docking into the open tBPA-modified 2B4 structure. These experiments show that a flexible Thr 302-tBPA adduct is able to rotate away from the heme to give testosterone or 7-EFC access to the heme iron. Known points of oxidation were found within 5 Å of the heme iron in several poses. These were A) carbon 16 of testosterone in five poses, B) carbon 2 of testosterone in three poses, and C) oxygen 13 of 7-EFC in four poses.
