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. 2012 May 4;7(5):e36526. doi: 10.1371/journal.pone.0036526

Table 1. Crystallographic screening for Slm1-PH domain ligands.

Surrogate ligands Result Lipid
Apo Slm1-PH 1.76 Å resolution Holo form
Ins(4)P 1.4 Å resolution; Ins(4)P bound PtdIns(4)P
Ins(4)P 1.8 Å resolution; Ins(4)P bound PtdIns(4)P
PS+Ins(1,4,5)P3 1.68 Å resolution; Phosphoserine bound DHS-P + PtdIns(4,5)P2
PS+Ins(4)P 2.7 Å resolution; Phosphoserine bound DHS-1P + PtdIns(4)P
FTY720(P)+Ins(4,5)P2 1.6 Å resolution; No bound ligand DHS-1P + PtdIns(4,5)P2
Ins(3)P 1.7 Å resolution; No bound ligand PtdIns(3)P
PS+Ins (3)P 1.6–1.8 Å resolution; No bound ligand DHS-1P + PtdIns(3)P
PS+Ins(4,5)P2 2.0 Å resolution; No bound ligand DHS-1P + PtdIns(4,5)P2
PS+Ins(1,4,5)P3 2.5 Å resolution; No bound ligand DHS-1P + PtdIns(4,5)P2
Ins(1,4,5)P3 2.5 Å resolution; but only in one direction PtdIns(4,5)P2
Ins(1,4,5)P3 2.6 Å resolution; No bound ligand PtdIns(4,5)P2
PS+Ins(1,4,5)P3 3.1 Å resolution; No bound ligand DHS-1P + PtdIns(4,5)P2
Ins(4,5)P2 3.4 Å resolution; No bound ligand PtdIns(4,5)P2
PS+Ins(1,4,5)P3 4.5 Å resolution; No bound ligand DHS-1P + PtdIns(4,5)P2
FTY720 Too mosaic diffraction to process so far DHS
Ins(4)P+Ins(1,4,5)P3 No diffraction PtdIns(4)P+ PtdIns(4,5)P2
FTY720(P)+Ins(4)P No crystals DHS-1P + PtdIns(4)P
*

PS  =  phosphoserine.

*

Crystals of the same protein-ligand complex were obtained in different crystallization conditions.

*

FTY720  =  synthetic analog of sphingosine, currently studied as a potent immunosuppressive and immunomodulatory agent [22], [23], [24]; FTY720(P)  =  phophorylated FTY720.