Table 1.
Salt bridges in putative models of Apaf-1/cytochrome c complex before and after energy minimization
Model | Models before energy minimization | Models after energy minimization | ||||
---|---|---|---|---|---|---|
cyt c | Dist, Å | Apaf-1 | cyt c | Dist, Å | Apaf-1 | |
Cryo-EM fitting [PDB:3J2T] | GLU 90 | 2.80 | ARG1131 | GLU 90 | 2.68 | ARG1131 |
LYS 73 | 2.58 | ASP1023 | LYS 73 | 2.68 | ASP1023 | |
LYS 87 | 3.13 | ASP1106 | LYS 87 | 3.22 | ASP1064 | |
ARG 91 | 3.91 | GLU1045 | ARG 91 | 3.76 | GLU1045 | |
PatchDock model | LYS 8 | 3.34 | ASP1106 | LYS 22 | 2.68 | ASP 903 |
LYS 22 | 3.07 | ASP 903 | LYS 79 | 2.66 | GLU 981 | |
LYS 79 | 2.68 | GLU 981 | ||||
PatchDock’ model | LYS 8 | 2.19 | ASP1147 | LYS 7 | 2.65 | ASP 902 |
LYS 72 | 3.23 | ASP1023 | LYS 7 | 2.77 | ASP 903 | |
LYS 79 | 3.07 | GLU 981 | LYS 8 | 2.65 | ASP1147 | |
LYS 25 | 2.63 | ASP 877 | ||||
LYS 27 | 3.80 | GLU 925 | ||||
LYS 39 | 2.67 | ASP 792 | ||||
LYS 72 | 2.64 | ASP1023 | ||||
LYS 73 | 2.63 | GLU1045 | ||||
LYS 79 | 2.63 | GLU 981 | ||||
ZDOCK model 1 | GLU 21 | 2.02 | LYS1004 | LYS 79 | 2.57 | ASP 902 |
LYS 25 | 3.47 | GLU 925 | ||||
LYS 55 | 3.63 | ASP 658 | ||||
LYS 79 | 3.60 | ASP 902 | ||||
ZDOCK model 2 | GLU 4 | 3.31 | HIS 840 | GLU 21 | 2.94 | LYS 802 |
GLU 21 | 3.95 | LYS 802 | ASP 62 | 3.67 | LYS1003 | |
GLU 61 | 3.28 | LYS1003 | LYS 5 | 2.63 | ASP 792 | |
ASP 62 | 3.17 | LYS1003 | LYS 8 | 2.64 | GLU 798 | |
LYS 5 | 2.47 | ASP 792 | LYS 25 | 2.63 | ASP 902 | |
LYS 25 | 3.36 | GLU 659 | LYS 55 | 2.62 | GLU1045 | |
LYS 53 | 3.01 | ASP1106 | ||||
ClusPro model | LYS 22 | 3.79 | GLU 981 | LYS 22 | 2.64 | GLU 981 |
LYS 25 | 2.62 | GLU 925 | LYS 25 | 2.62 | GLU 925 | |
HIS 33 | 3.48 | ASP1023 | HIS 33 | 3.48 | ASP1023 | |
LYS 39 | 2.69 | ASP1147 | LYS 39 | 2.69 | ASP1147 | |
LYS 53 | 2.67 | ASP1147 | LYS 53 | 2.67 | ASP1147 | |
LYS 73 | 2.64 | GLU 659 | LYS 73 | 2.97 | GLU 659 | |
LYS 79 | 2.60 | ASP 902 | LYS 79 | 2.60 | ASP 902 | |
GLU 21 | 2.74 | LYS1004 | GLU 21 | 2.74 | LYS1004 |
Bonds, as formed by conserved cytochrome c residues known to be involved in activation of the apoptosome, are shown in bold font