Computational modeling and in silico analysis of differential regulation of myo-inositol catabolic enzymes in Cryptococcus neoformans

Table 4 Amino Acids Involved in Salt-Bridges that Stabilize the myo-Inositol Substrate Lid.

Protein	Amino Acid	Distance	Amino Acid	Distance	Amino Acid	Distance
MIOX3	Asp-160/Lys-201	2.67 Å	Asp-163/Lys-331	2.91 Å	Ser-167/Arg-116	12.15 Å
MIOX2	Asp-112/Lys-153	2.66 Å	Asp-115/Lys-283	2.91 Å	Ser-119/Arg-68	12.15 Å
MIOX1	Asp-117/Lys-157	2.65 Å	Asp-120/Lys-287	2.91 Å	Ser-124/Arg-71	3.55 Å
musculus	Asp-85/Lys-127	2.31 Å	Asp-88/Lys-257	2.97 Å	Asp-92/Arg-39	2.98 Å

The amino acids involved in the myo-inositol substrate lid are conserved among the four proteins with the exception of a substitution of Ser for Asp in all three computationally modeled C. neoformans MIOX proteins. Predicted bonding distances indicate the salt bridge formation is conserved for MIOX1. The distance measured between the substituted Ser and Arg in both computationally modeled MIOX2 and MIOX3 proteins (12.15 Å) does not support the formation of a salt bridge at these locations.

ISSN: 1471-2199