Figure 3: Superimposition of talin/integrin complexes.

(A) Sequence alignment of Mus musculus talin2 (mTalin2), Homo sapiens talin2 (hTalin2), and Homo sapiens talin1 (hTalin1) by PROMALS3D server. β strands of talin (β1-β7), α helix of β1-integrin as well as the name of the subunit are marked by black lines. β-sheet 1 and β-sheet 2 are colored in green and yellow respectively. The key interaction pair of Tln-S339/336 and Tln-E353/350 are colored in red, the key interaction pair of Tln-K324/327 and Int-D759 are colored in purple, and the Tln-N323/326 and Int-R760 interaction pair are colored in cyan. (B) (1) Typical talin2^WT/integrin complex structure is derived from the last snapshot of the 40 ns MD trajectory by energy minimization. Talin2 and β1-integrin are represented as cyan and blue ribbons, respectively. Tln-S339, Tln-E353, Tln-K327, Tln-N326, Int-R760, and Int-D759 are showed in stick-ball model. (2) Superimposition of the talin2^WT/integrin and talin1^WT/integrin complexes. For talin2^WT/integrin complex, talin2^WT and β1-integrin are colored in cyan and blue, respectively. For talin1^WT/integrin complex, talin1^WT and β1-integrin are colored in golden and red, respectively. (3) Only β-sheet 1 of talin and β1-intergrin are shown. Although other parts of talin could be superimposed well, β-sheet 1 varies a lot in talin2^WT and talin1^WT. (4) Superimposition of the talin2^WT/integrin and talin1^C336S/integrin complex. Talin1^C336S and β1-integrin are colored in green and purple, respectively. (5) Only β-sheet 1 of talin and β1-integrin are shown, and they both have similar conformation in talin2^WT/integrin and talin1^C336S/integrin complexes. (6) Superimposition of all three talin/integrin complexes. (7) Only β-sheet 1 of talin and β1-intergin are shown.