3N87
crystal structure of 3-dehydroquinate dehydratase from mycobacterium tuberculosis in complex with inhibitor 3
Total interactions analyzed 276
Total true interactions 62
Strongest Interaction Chains P-S
Int. Res. 65
Norm. En. per Res. -5.6825
Hub Node N(6)
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-D 0.0 0.0 -0.001 -0.001 2 0 0 3 0 5 4
A-G -55.605 48.5468 -281.441 -288.4993 98 11 8 10967 0 18 26
A-J 0.0 0.0 -0.0006 -0.0006 4 0 0 2 0 5 4
A-K -24.7655 -138.77 -131.681 -295.2165 65 6 2 5483 13 27 26
A-L -43.466 -126.6633 -126.1 -296.2293 64 9 1 5479 10 25 27
B-C -35.2435 -149.9535 -144.789 -329.986 64 5 2 5590 12 26 25
B-E -37.0846 -98.4522 -145.731 -281.2677 66 8 2 5752 12 27 26
B-F -51.2218 41.0577 -285.238 -295.4021 95 11 8 11292 0 18 29
B-G 0.0 0.0 -0.0006 -0.0006 2 0 0 2 0 6 4
B-K 0.0 0.0 -0.0015 -0.0015 2 0 0 4 0 5 4
C-E -42.1529 -94.2953 -148.838 -285.2862 67 6 2 5814 9 26 26
C-F 0.0 0.0 -1.0144 -1.0144 5 0 0 36 0 5 4
C-H -48.1126 36.0808 -287.194 -299.2258 96 9 8 11115 0 17 27
C-I 0.0 0.0 -0.0022 -0.0022 2 0 0 1 0 5 4
D-F -21.7418 -131.0073 -124.165 -276.9141 63 5 2 5205 12 22 26
D-G -49.3025 -147.0439 -145.294 -341.6404 64 11 2 5833 13 24 26
D-I -55.5414 38.2343 -266.674 -283.9812 96 7 8 10949 0 18 29
D-J 0.0 0.0 -0.0013 -0.0013 2 0 0 4 0 5 4
E-F 0.0 0.0 6.0118 6.0118 9 8 0 201 0 0 0
E-H 0.0 0.0 -0.0057 -0.0057 2 0 0 6 0 5 4
E-K -54.126 41.9255 -281.383 -293.5836 100 18 8 11046 0 18 28
E-L 0.0 0.0 -0.0007 -0.0007 2 0 0 2 0 5 4
F-G -45.6491 -126.3926 -143.251 -315.2927 67 9 2 5870 11 27 26
F-I 0.0 0.0 -0.001 -0.001 2 0 0 3 0 5 4
G-K 0.0 0.0 -0.0003 -0.0003 2 0 0 1 0 5 4
H-I -27.2051 -144.3568 -149.364 -320.9259 66 5 2 5913 10 26 27
H-J -36.154 -155.7592 -132.79 -324.7032 65 10 2 5552 14 22 25
H-L 0.0 0.0 -0.0003 -0.0003 2 0 0 1 0 5 4
I-J -29.5719 -134.4818 -152.162 -316.2157 69 3 1 6116 11 30 26
J-L -62.9425 41.3223 -287.95 -309.5701 95 12 8 11210 0 18 29
K-L -43.0144 -142.0994 -144.063 -329.1768 68 11 2 5989 15 24 26
K-X 0.0 0.0 -0.5586 -0.5586 9 0 0 127 0 2 4
M-P 0.0 0.0 -0.0007 -0.0007 2 0 0 2 0 5 4
M-S -52.6882 35.9789 -276.024 -292.7333 98 7 8 10959 0 18 28
M-W -40.0411 -137.9308 -136.119 -314.0909 66 10 2 5610 10 23 26
M-X -49.6809 -119.3769 -148.477 -317.5347 67 7 2 5844 12 27 26
N-O -34.5748 -165.7309 -145.815 -346.1207 66 10 2 5837 15 25 26
N-Q -27.4586 -141.8425 -148.043 -317.3441 67 5 2 5813 11 25 26
N-R -39.0638 39.6586 -266.035 -265.4402 98 10 8 10825 0 18 28
N-S 0.0 0.0 -0.0012 -0.0012 2 0 0 3 0 5 4
N-U 0.0 0.0 -3.8266 -3.8266 8 0 0 89 0 0 0
N-W 0.0 0.0 -0.001 -0.001 2 0 0 3 0 5 4
O-Q -46.5929 -146.5088 -139.041 -332.1427 63 6 2 5460 13 26 27
O-R 0.0 0.0 -0.001 -0.001 4 0 0 3 0 5 4
O-T -55.7134 37.0527 -287.435 -306.0956 95 7 8 11016 0 18 29
O-U 0.0 0.0 -0.0072 -0.0072 2 0 0 6 0 5 4
P-R -38.7561 -128.249 -138.206 -305.2111 64 10 2 5401 12 23 26
P-S -51.7155 -169.8372 -147.808 -369.3607 65 10 2 5738 16 22 26
P-U -45.0791 51.2491 -271.874 -265.704 98 15 8 11029 0 17 27
P-V 0.0 0.0 -0.0012 -0.0012 2 0 0 3 0 5 4
Q-T 0.0 0.0 -0.0008 -0.0008 2 0 0 2 0 5 4
Q-W -51.8398 39.5978 -269.447 -281.689 98 12 8 10951 0 18 29
Q-X 0.0 0.0 -0.0011 -0.0011 2 0 0 3 0 6 4
R-S -54.0099 -112.8716 -130.294 -297.1755 68 10 1 6018 12 26 27
R-U 0.0 0.0 -0.0008 -0.0008 2 0 0 3 0 5 4
S-W 0.0 1.0588 -0.0006 1.0582 4 0 0 2 0 5 4
T-U -49.4285 -140.2271 -154.862 -344.5176 65 9 2 6033 11 28 26
T-V -38.5719 -126.4612 -147.878 -312.9111 67 6 2 5901 9 26 26
T-X 0.0 0.0 -0.0003 -0.0003 2 0 0 1 0 5 4
U-V -50.8806 -121.9494 -152.992 -325.822 66 8 2 5940 12 28 27
V-X -61.8383 44.101 -285.631 -303.3683 98 15 8 11189 0 18 28
W-X -38.9905 -144.8931 -137.69 -321.5736 65 6 2 5552 12 25 26