Fig. 3 | Scientific Reports

Fig. 3

From: Crystal structure of human INPP5K with an allosteric inhibitor reveals the structural basis for species specific potency

Fig. 3

Overall structure of human delta-INPP5K-cd complexed with CPD-1. (A) Cartoon representation of human delta-INPP5K-cd, with helices numbered from the N- to the C-terminus (left: front view, right: rotated 180 degrees vertically). The region substituted with the rat sequence is shown in red. CPD-1 is shown as spheres (carbon: yellow, nitrogen: blue, oxygen: red, sulfur: brown). The N- and C-termini of the modeled regions are indicated by pink spheres. (B) Structural comparison with INPP5B. (Left) Structure of the delta-INPP5K-cd/CPD-1 complex (green). (Middle) Structure of INPP5B bound to PtdIns-3,4-P2 (PDB: 4CML, gray). (Right) Superimposition of the delta-INPP5K-cd/CPD-1 complex onto the INPP5B complex. The ligand PtdIns-3,4-P2 is shown as spheres (carbon: pale blue, oxygen: red, phosphorus: orange). H3 in the INPP5K complex structure is displaced outwards by inhibitor binding.

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