Skip to main content
Figure 3 | BMC Bioinformatics

Figure 3

From: Representation of target-bound drugs by computed conformers: implications for conformational libraries

Figure 3

Methotrexate bound to different proteins. Three different proteins are shown in cartoon representation. The bound conformations of Methotrexate (coloured dark blue) is shown in stick representation. The lower figures show the bound conformations originating from crystal structure (left hand site) and most similar computed drug conformer (right hand site). a) Thymidilate synthase of Escherichia coli (PDB: 1AXW, chain A). b) Dihydrofolate reductase of Homo sapiens (PDB: 1DLS). c) Pteridine Reductase 2 from Trypanosoma cruzi (PDB: 1MXF, chain D)

Back to article page

BMC Bioinformatics

ISSN: 1471-2105

Contact us