Table 2

Interaction profile of LPKC with natural compounds

Type of Interaction

Withaferin A (before MD)

Withaferin A (after MD)

Withanone (before MD)

Withanone (after MD)


H-bonds

Thr62, Ala63, Glu79, Asn128

Ala63

Ala63, Glu79

Glu79

Hydrophobic

Arg17, Leu53, Leu64, Met78, Ala81, Thr131, Cys139

Leu54, Thr62, Met78, Glu79, Ala81, Gln85, Thr131, Ala133, Cys139, Asp140

Arg17, Gln19, Glu39, Leu53, Thr62, Leu64, Met78, Ala81,

Gln19, Thr62, Met78, Ala81


Grover et al. BMC Genomics 2012 13(Suppl 7):S20   doi:10.1186/1471-2164-13-S7-S20

Open Data