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Stereo views of indomethacin analogues in the AKR1C3 active site.

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posted on 28.08.2012 by Jack U. Flanagan, Yuliana Yosaatmadja, Rebecca M. Teague, Matilda Z. L. Chai, Andrew P. Turnbull, Christopher J. Squire

A. Overlay of PEG/acetate (1S1P; coloured white) and pH 6.0 indomethacin (1S2A; coloured grey) active sites showing the indomethacin hydrogen bonding pattern and protein side chain shifts. B. Overlay of PEG/acetate (1S1P; coloured white) and pH 7.5 indomethacin (coloured grey) active sites showing the indomethacin hydrogen bonding pattern and protein side chain shifts. Two alternative conformations of phenylalanine 306 are shown; where indomethacin occupies the active site (only 70% of the molecules in the crystal) clearly the 30% occupancy side chain of phenylalanine 306 cannot co-exist in the same space. C. Overlay of PEG/acetate (1S1P; coloured white) and zomepirac (coloured grey) active sites showing the zomepirac hydrogen bonding pattern.

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