Fig. 6 | Scientific Reports

Fig. 6

From: Targeting KRASG13C with cyclic linker based inhibitors to explore warhead orientation

Fig. 6

X-Ray crystallographic model of KRASG13C covalently modified with 7b. (A): Compound 7b covalently bound to Cys13 of KRASG13C. (B): 3 copies of covalently modified RAS were observed in the asymmetric unit. The figure indicates that the GDP-core adopts a similar orientation in all of these, whereas the linker is flexible and adopts different conformations and is solvent exposed (also see Figure S3, A). (C): The 2Fo-Fc electron density map is contoured at an r.m.s.d. of 1. PyMOL (version 3.1.0, W.L. DeLano, The PyMOL Molecular Graphics System) was used for generating the 3D figures.

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