2BE5
crystal structure of the t. thermophilus rna polymerase holoenzyme in complex with inhibitor tagetitoxin
Total interactions analyzed 66
Total true interactions 21
Strongest Interaction Chains D-E
Int. Res. 173
Norm. En. per Res. -3.9063
Hub Node A(3)
Click on the Nodes or Edges in the network to see the details
Weak Strong
Width of edge <-> No. of inter. res.
All Interactions
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Chains Hydro. Bond Ener. (kJ/mol) Elec. Ener. (kJ/mol) VDW. Ener. (kJ/mol) Tot. Stab. Ener. (kJ/mol) #int. res. # Short cont. #Hydr. int. #VDW pairs #salt bridges #Pot. fav. elec. int #Pot. unfav. elec. int int. res.
A-B -19.24 4.5528 -383.936 -398.6232 141 41 15 16887 0 25 33
A-C -75.0593 -155.8948 -468.901 -699.8552 202 58 8 21465 20 126 105
A-D 0.0 1.2078 -0.084 1.1238 2 0 0 24 0 7 4
B-C -5.1917 -30.7492 -38.5045 -74.4454 32 6 0 1690 3 12 17
B-D -24.8759 -87.042 -139.59 -251.508 113 19 7 7167 6 50 39
B-E 0.0 0.0 -1.2261 -1.2261 6 0 0 96 0 0 0
C-D -261.1052 -205.4717 -2381.15 -2847.7269 762 297 79 106270 20 305 281
C-E 0.0 -21.3684 -21.0646 -42.433 26 0 0 1094 0 11 7
C-F -15.9169 -44.6448 -258.913 -319.4748 159 27 7 12636 6 55 61
D-E -64.736 -86.3377 -524.715 -675.7887 173 47 21 23911 8 75 58
D-F -145.997 -228.2737 -698.239 -1072.5097 378 100 15 35574 15 212 161
K-L -15.2958 13.6392 -368.273 -369.9295 142 28 15 16850 0 26 31
K-M -58.9492 -150.3478 -426.853 -636.15 200 41 7 19918 16 115 103
K-N 0.0 1.5377 -0.706 0.8318 8 0 0 100 0 7 5
L-M -6.7667 -49.4775 -33.716 -89.9602 32 4 0 1567 5 13 19
L-N -26.6013 -100.5635 -239.801 -366.9658 135 32 9 11399 8 61 50
M-N -342.6123 -319.8415 -2047.81 -2710.2638 701 183 68 89815 25 279 241
M-O 0.0 -26.5444 4 ARG32O, ASP1075M, GLU1074M, GLU61O
M-P -10.5798 26.0655 20 ARG376M, ARG772M, ARG775M, ASP343P, ASP423P, ASP714M, GLU1068M, GLU285P, GLU305P, GLU336P, GLU379M, GLU764M, GLU770M, GLU771M, HIS337P, HIS728M, ILE333P, LEU1015M, LYS373P, LYS762M
N-O -109.4603 -94.7156 37 ARG1213N, ARG1499N, ARG18O, ARG26O, ARG72O, ARG760N, ARG84O, ASP1488N, ASP56O, ASP57O, ASP7O, GLN1485N, GLU1219N, GLU1497N, GLU3O, GLU61O, GLU663N, GLU67O, GLU82O, GLU88O, GLU925N, GLY76O, HIS640N, HIS767N, ILE1217N, LYS1490N, LYS16O, LYS698N, LYS8O, LYS926N, MET924N, PHE1480N, SER15O, THR62O, VAL1487N, VAL74O, VAL80O
N-P -111.3229 -179.7041 84 ARG132P, ARG140P, ARG159N, ARG178P, ARG184P, ARG232P, ARG256P, ARG259P, ARG41N, ARG455N, ARG534N, ARG545N, ARG546N, ARG550N, ARG553N, ARG572N, ARG598N, ARG601N, ARG622N, ARG65N, ARG675N, ARG86N, ARG87N, ASP155N, ASP160P, ASP211P, ASP253P, ASP331P, ASP335P, ASP377P, ASP419N, ASP420P, ASP423N, ASP423P, ASP438N, ASP453N, ASP523N, ASP539N, ASP542N, ASP55N, ASP605N, ASP79P, GLN254P, GLN312P, GLN560N, GLU101P, GLU156N, GLU179P, GLU189P, GLU214N, GLU215P, GLU30N, GLU313P, GLU318P, GLU389N, GLU40N, GLU436N, GLU459N, GLU564N, GLU570N, GLU87P, GLU97P, GLU98P, HIS175P, HIS337P, HIS86P, LYS131N, LYS134P, LYS164P, LYS168P, LYS171P, LYS309P, LYS426N, LYS556N, LYS62N, LYS64N, LYS671N, LYS82N, PHE421P, PHE535N, SER138P, THR537N, VAL315P, VAL384N