1Q51
crystal structure of mycobacterium tuberculosis menb in complex with acetoacetyl-coenzyme a, a key enzyme in vitamin k2 biosynthesis
Total interactions analyzed 66
Total true interactions 36
Strongest Interaction Chains B-C
Int. Res. 138
Norm. En. per Res. -4.6569
Hub Node A(5)
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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 -99.0895 -53.5067 -429.386 -581.9822 125 21 17 15807 6 25 24
A-C -89.3083 -59.3233 -408.69 -557.3216 124 17 16 15726 5 26 23
A-D -37.2285 3.2855 -442.341 -476.2841 171 12 9 17993 7 36 38
A-E -37.7982 -2.5798 -474.489 -514.8669 155 12 11 17913 0 25 29
A-F 0.0 0.0 -0.0356 -0.0356 7 0 0 28 0 0 0
B-C -95.0392 -72.9607 -474.653 -642.6529 138 20 18 17704 5 27 26
B-D -44.5863 -2.183 -465.257 -512.0263 155 20 8 17858 0 25 30
B-E 0.0 0.0 -0.0429 -0.0429 6 0 0 32 0 0 0
B-F -43.857 4.3093 -464.724 -504.2718 187 10 9 19540 6 40 44
C-D 0.0 0.0 -0.0468 -0.0468 6 0 0 34 0 0 0
C-E -31.6075 3.1865 -440.696 -469.117 168 12 10 17920 7 36 37
C-F -39.3152 -1.768 -466.615 -507.6981 157 11 10 17871 0 25 27
D-E -81.6601 -51.5622 -410.862 -544.0844 123 22 16 15800 6 26 23
D-F -83.409 -55.2898 -399.023 -537.7218 123 22 17 15645 5 26 22
D-G -46.1041 -47.1495 -98.763 -192.0166 65 8 0 4632 3 30 26
D-H 0.0 17.9475 -7.5208 10.4267 18 0 0 400 0 6 11
E-F -91.8121 -54.337 -396.598 -542.7471 124 22 16 15654 6 25 23
E-G 0.0 8.5695 -7.8662 0.7033 18 0 0 387 0 6 11
E-I -19.0077 -41.854 -88.2091 -149.0708 60 8 0 4380 1 30 26
F-H -59.8922 -43.2884 -100.79 -203.9706 67 10 0 4841 2 30 26
F-I 0.0 0.0 -5.1262 -5.1262 16 0 0 294 0 5 11
G-H -96.0308 -63.3784 -396.985 -556.3942 123 22 16 15426 5 25 23
G-I -78.419 -57.4113 -417.373 -553.2032 125 25 17 15933 6 26 24
G-J -31.8653 2.16 -434.169 -463.8743 169 12 10 17996 6 36 37
G-K -27.8945 -2.6328 -469.915 -500.4422 155 15 10 17818 0 23 29
G-L 0.0 0.0 -0.048 -0.048 6 0 0 34 0 0 0
H-I -91.9463 -61.361 -403.207 -556.5143 124 19 16 15632 5 26 23
H-J -33.2906 -1.7171 -468.806 -503.8137 157 11 10 17809 0 25 29
H-K 0.0 0.0 -0.0514 -0.0514 6 0 0 35 0 0 0
H-L -38.4529 3.2002 -444.999 -480.2517 172 11 10 18082 8 37 39
I-J 0.0 0.0 -0.0402 -0.0402 6 0 0 31 0 0 0
I-K -27.5025 3.3538 -447.371 -471.5197 174 17 9 18082 6 36 40
I-L -38.4524 -3.2659 -474.345 -516.0632 155 20 10 18017 0 23 28
J-K -94.8477 -53.4607 -410.833 -559.1413 123 17 16 15748 5 26 23
J-L -85.9173 -53.0445 -402.965 -541.9269 124 17 16 15626 6 25 22
K-L -89.3993 -47.6764 -420.985 -558.0607 126 19 16 15928 5 25 24