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Human MGC45594 in complex with NADP and fenoprofen (FUP)

Pre-release coordinates 2X7H

IMPORTANT: Please note that the coordinates provided here, although deposited, are not yet released in the PDB pending standard PDB processing. As such the contents of the file are subject to change without notice. You should ensure that you download the released version of the coordinates once they are released in the PDB

PDB Code 2X7H Target Class Oxidoreductases Target MGC45594 + NADP + fenoprofen (FUP) Alias MGC45594, ZADH2 Disease Area/Function Date Deposited Feb 26 2010 Authors N.Shafqat, W.W.Yue, E.Ugochukwu, F.Niesen, M.Vollmar, A.Chaikuad, A.C.W.Pike, F.vonDelft, C.Smee, C.Arrowsmith, J.Weigelt, A.Edwards, C.Bountra, U.Oppermann Related Structure 2C0C, 2WEK, 2X1H

About this structure

MGC45594 is a functionally unannotated member of the medium-chain dehydrogenase/reductase (MDR) superfamily. This family comprises different types of oxidoreductases, e.g. the zinc containing alcohol dehydrogenases, polyol dehydrogenases and quinone oxidoreductases. MGC45994 is highly conserved among eukaryotic species and shows significant homology to bacterial unannotated oxidoreductases. The human gene is located on chromosome 18q22.3, and has been assigned the gene name ZADH2 (zinc containing alcohol dehydrogenase 2). Broad mRNA expression is observed in human tissues, with highest levels found in heart, skin and skeletal muscle.

As part of a family-wide approach in developing small-molecule modulators for MDRs, we have structurally characterized the interaction of human MGC45594 with the non-steroidal anti-inflammatory drug (NSAID) diclofenac. Here we have determined the crystal structure of MGC45594 bound with NADP and fenoprofen. Fenoprofen (2-(3-phenoxyphenyl)propanoic acid) is a non-steroidal anti-inflammatory drug which reduces inflammation and pain, and is used to relieve symptoms from rheumatoid arthritis.