Author: Deepak Kumar; Nitin Sharma; Murali Aarthy; Sanjeev Singh; Rajanish Giri
Title: Mechanistic insights into Zika virus NS3 helicase inhibition by Epigallocatechin-3-gallate: Supplementary Files Document date: 2019_1_26
ID: k11iupe0_13
Snippet: Interestingly, the metal ion Mn 2+ which is crucial in NTP hydrolysis showed significant interaction with negatively charged oxygen atom of the EGCG ( Figure S1C ). In the meanwhile, the Mn2+ ion also interacts with the GLU 286 and THR 201 residue of the protein. The role of metal ion Mn 2+ has already been established in NTP hydrolysis cycle which helps to stabilize the NTP during pre-hydrolysis step (31) . Overall EGCG is showing significant i.....
Document: Interestingly, the metal ion Mn 2+ which is crucial in NTP hydrolysis showed significant interaction with negatively charged oxygen atom of the EGCG ( Figure S1C ). In the meanwhile, the Mn2+ ion also interacts with the GLU 286 and THR 201 residue of the protein. The role of metal ion Mn 2+ has already been established in NTP hydrolysis cycle which helps to stabilize the NTP during pre-hydrolysis step (31) . Overall EGCG is showing significant interactions with crucial residues of P-loop (THR 201, GLY 199) and also with motif VI (residues ARG 459, and ARG 462) of NTPase binding pocket.
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