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. 2017 Nov 18;8(63):106598–106607. doi: 10.18632/oncotarget.22503

Figure 4. NTCP molecular alteration caused by the SLC10A1 variant c.263T>C (p.I88T).

Figure 4

This figure illustrated the ball-and-stick model of human NTCP, with the short bar in white, red and blue standing for the carbon, oxygen and nitrogen atoms, while the dashed lines in green illustrated the hydrogen bonds, respectively. (A) In the wild-type model, the NTCP conformation was maintained by a series of hydrogen bonds, including the one between the isoleucine at position 88 and the leucine at 91 (denoted by the yellow arrow). (B) In the mutant NTCP model, the isoleucine at position 88 was changed to a threonine (p.I88T). This change led to disappearing of the hydrogen bond between the positions 88 and 91, and shortened the distance of the hydrogen bond between the positions 88 and 92 from 3.22 to 2.27 nm. In addition, the NTCP conformation was further distorted by other hydrogen bond alterations. Among them, the hydrogen bond between the leucine at 91 and the asparagine at 87 was shortened from 3.24 to 2.29nm while the hydrogen bond disappeared between the lysine at 87 and the glutamic acid at 89. ILE: isoleucine; THR: threonine; ALA: alanine; LEU: leucine; ASN: asparagines; LYS: lysine; GLU: glutamic acid; ASP: aspartic acid; PRO: proline.