Fig. 8: Structural basis of PsKAI2B ligand interaction. | Communications Biology

Fig. 8: Structural basis of PsKAI2B ligand interaction.

From: Structural and functional analyses explain Pea KAI2 receptor diversity and reveal stereoselective catalysis during signal perception

Fig. 8

a Surface (left) and cartoon (right) representations of PsKAI2B crystal structure in complex with (–)-GR24 D-OH ring. Protein structure is shown in blue/gray and ligand in orange. b Close-up view on ligand interactions and contiguous density with the catalytic serine S95. Electron density for the ligand is shown in navy blue and blue/gray mesh for the labeled catalytic triad. The contiguous density between S95 and the D-OH ring indicates a covalent bond. The electron density is derived from 2mFoDFc (2fofc) map contoured at 1.0 s. c Side view of PsKAI2B-D-OH structure shown in cartoon with highlighted (orange) the intact D-OH ring structure. 2-D ligand interaction plot was generated using LigPlot+ software. Dark gray line represents S95-D-OH ring covalent bond. d Schematic diagram of the proposed mechanism for the formation of the D-ring intermediate covalently bound to S95 in a first time and then to H246.

Back to article page