Cell Communication and Signaling

Table 3 The average distances of Ile116-Leu289’ and angles of Ile116-Phe148-Leu289’ between Cα atoms calculated from the 100–200 ns MD simulation trajectory

From: Identification of a selective inhibitor of IDH2/R140Q enzyme that induces cellular differentiation in leukemia cells

Systems	Distance		Angle
Systems	I116^A-L289^B (Å)	I116^B-L289^A (Å)	I116^A-F148^A-L289^B (°)	I116^B-F148^B-L289^A (°)
IDH2/R140Q_CP-17	20.50 ± 1.38^*	21.49 ± 1.18^*	56.68 ± 3.42^*	59.41 ± 3.15^*
IDH2/R140Q_α-KG	13.78 ± 0.56	13.32 ± 0.27	37.01 ± 1.36	35.52 ± 0.82
IDH2/WT_CP-17	13.61 ± 0.69^#	22.56 ± 0.86^*	37.59 ± 1.77^#	59.25 ± 2.27^*

Compared with IDH2/R140Q_α-KG, ^*P < 0.001
Compared with IDH2/R140Q_CP-17, ^#P < 0.001

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ISSN: 1478-811X

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