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. Author manuscript; available in PMC: 2010 Aug 1.
Published in final edited form as: Pharmacogenet Genomics. 2009 Aug;19(8):567–576. doi: 10.1097/FPC.0b013e32832c14b8

Figure 4.

Figure 4

Human NT5C3 homology model. Three NT5C3 crystal structures are available (PDB accession numbers 2CN1, 2JGA, and 2VKQ). We used 2VKQ because it has the highest resolution of the 3 structures available. This structure contains residues 14-286 (isoform 3), and has BeF3 and Mg ions in the active site. We studied the 297 amino acid isoform (isoform 2) since our lymphoblastoid cell lines express that isoform. Therefore, our nonsynonymous SNP is at position 283 in the 297 amino acid isoform but is located at position 272 in the 286 amino acid isoform. (A) The NT5C3 molecule is shown as a blue ribbon structure. Bound in the active site are magnesium (dark gray) and BeF3- (the pink beryllium is barely visible) with yellow fluorine ions, drawn as space-filling spheres. The side chain of Asp272 is also drawn as space-filling spheres, with green carbon atoms. (B) Closeup of Asp272 and His272 superposition to show that the surface solvent-exposed location of Asp272 provides adequate space for His272 such that it can also form a hydrogen bond with Ser274, although from a slightly different direction.