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. 2016 Jul 11;6:29431. doi: 10.1038/srep29431

Figure 2. Modeling of BmP02 interactions with Kv1.3 channels.

Figure 2

(A) Interaction mode of BmP02 with Kv1.3 channel. BmP02 key functional residues are marked. (B) Kv1.3 channel pore-blocking Lys11 of Bmp02 primarily contacts the conserved residues of Kv1.3 channel pore region within a contact distance of 5 nm. (C) His9 of BmP02 interacts with Ser426 and His451 in channel D chain within a contact distance of 5 nm. (D) Lys13 of BmP02 mainly contacted channel Asp449 in B chian, Gly450 and Met 452 in A chain within a contact distance of 5 nm. (E) The RSMF value of all BmP02 residues during the MD simulation. (F) Mean values of Virtual Alanine Mutation of Kv1.3-BmP02 complex obtained from ZDOCK and MD simulations with standard deviation.