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Fig. 6 | Cell Communication and Signaling

Fig. 6

From: The design of high affinity human PD-1 mutants by using molecular dynamics simulations (MD)

Fig. 6

Interactions between PD-1 (Green) and PD-L1 (Blue). The interactions were indicated by orange dashed line and the interaction energies were shown in orange (kcal/mol). The interaction energy (< − 5 kcal/mol) was defined as the strong interaction. The interactions for hPD-1/PD-L1 complex were shown in (a/b), and interactions for mPD-1/PD-L1 complex were shown in (c/d). a K135 formed a strong ionic bond with D61hPD-L1. E136 formed a weak interaction withR113hPD-L1. b Q75, T76 and E136 formed hydrogen bonds with Y123hPD-L1 and R125hPD-L1. c K131m formed a strong ionic bond with D73mPD-L1 and the interaction between Q66mPD-L1 and A132m was observed. d K78m formed a strong hydrogen bond with the carboxylic group of F19mPD-L1, and E77m was interacted with K124mPD-L1

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