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Superposition of E. coli 7α-HSD and mouse 11β-HSD1.

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posted on 21.02.2013, 12:19 by Lyubomir G. Nashev, Charlie Chandsawangbhuwana, Zoltan Balazs, Atanas G. Atanasov, Bernhard Dick, Felix J. Frey, Michael E. Baker, Alex Odermatt

The 7α-hydroxyl in chenodeoxycholic acid superimposes nicely on the 11β-hydroxyl in corticosterone. The catalytic tyrosine and nicotinamide C4 are favorably positioned to interact with the C7α-hydroxyl and C11β-hydroxyl on chenodeoxycholic acid and corticosterone, respectively. The D rings in chenodeoxycholic acid and corticosterone are oriented towards the interior of 7α-HSD and 11β-HSD1, respectively.