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. Author manuscript; available in PMC: 2018 Dec 7.
Published in final edited form as: J Phys Chem B. 2017 Nov 29;121(48):10770–10781. doi: 10.1021/acs.jpcb.7b08274

Figure 6.

Figure 6

DHFR model with low temperature SSNMR bleaching information shown as a heat map. The ratio of signal intensity for specifically isotopically enriched DHFR samples with bound TMP-V-T relative to samples with exogenous AMUPol/TMP, observed using DNP-enhanced 13C–13C DARR spectra (ITMPVT/IAMUPol), is indicated by the color scale, red to white. The strongest reduction in signal intensity, or bleaching, is observed for residues proximal to the TMP-V-T binding pocket. The structure of the TMP-V-T linker and TOTAPOL was built into the crystal structure by hand using the Maestro software (Schrödinger Release 2017-3: Maestro, Schrödinger, LLC, New York, 2017), with the paramagnetic N–O groups represented as spheres. The image was produced using the PyMOL Molecular Graphics System, version 1.8.4.2, Schrödinger, LLC.