3U8M
crystal structure of the acetylcholine binding protein (achbp) from lymnaea stagnalis in complex with ns3920 (1-(6-bromopyridin-3-yl)-1, 4-diazepane)
Total interactions analyzed 190
Total true interactions 56
Strongest Interaction Chains F-G
Int. Res. 130
Norm. En. per Res. -3.1831
Hub Node B(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-B -41.3956 1.1476 -312.859 -353.107 130 15 6 13128 7 33 30
A-E -32.2428 -9.4458 -295.642 -337.3306 125 14 6 12571 5 31 26
A-H 0.0 0.0 -0.0542 -0.0542 2 0 0 17 0 0 0
A-I 0.0 11.2549 -57.7927 -46.5378 47 4 0 2719 0 14 15
A-J 0.0 66.6354 -5.6368 60.9986 14 0 0 314 0 6 4
B-C -37.2774 -7.8247 -288.216 -333.3181 127 17 5 12813 5 36 27
B-G 0.0 0.0 -0.0004 -0.0004 2 0 0 1 0 0 0
B-H 0.0 9.3264 -54.4825 -45.1561 43 3 0 2365 0 13 13
B-I 0.0 62.197 -6.5614 55.6356 14 0 0 421 0 6 4
B-L 0.0 15.6507 -10.2612 5.3895 7 1 0 262 0 1 2
B-P -2.7779 49.3417 -83.725 -37.1612 64 13 0 4764 3 42 33
C-D -35.2021 -11.6499 -318.497 -365.349 132 14 6 13273 7 35 29
C-F 0.0 0.0 -0.0005 -0.0005 2 0 0 1 0 0 1
C-G 0.0 5.7097 -44.4404 -38.7307 39 2 0 2255 0 12 14
C-H 0.0 52.3408 -1.9785 50.3623 14 0 0 151 0 6 4
D-E -54.7471 -11.3703 -304.987 -371.1043 130 16 6 13171 6 32 28
D-F 0.0 12.0452 -62.6448 -50.5996 48 2 0 2951 0 15 15
D-G 0.0 50.028 -2.5079 47.5202 13 0 0 210 0 6 4
D-J 0.0 0.0 -0.0082 -0.0082 2 0 0 9 0 1 2
E-F 0.0 68.7592 -5.9988 62.7604 14 0 0 331 0 6 4
E-I 0.0 0.0 -0.0117 -0.0117 2 0 0 8 0 0 0
E-J 0.0 9.7003 -57.3898 -47.6895 51 1 0 2848 0 13 13
F-G -42.6275 -44.5844 -326.591 -413.8029 130 21 5 13324 9 35 32
F-J -33.0173 0.5918 -300.289 -332.7145 130 15 6 13255 6 33 30
G-H -49.2705 -0.0041 -303.403 -352.6775 132 17 6 13103 5 34 31
G-K -10.3579 20.4429 -57.6375 -47.5525 38 12 1 2767 0 15 11
G-L 0.0 26.8216 -14.096 12.7256 21 0 0 519 0 14 7
H-I -34.8319 29.5607 -306.573 -311.8442 131 13 6 13025 5 35 30
H-K 0.0 5.5237 -0.2606 5.2631 9 0 0 48 0 9 5
H-L 0.0 4.7165 -2.0424 2.6741 4 0 0 149 0 4 2
H-P 0.0 11.8986 -10.0052 1.8934 8 1 0 296 0 1 2
I-J -49.3321 -20.4609 -298.416 -368.2091 130 14 6 13002 6 33 32
K-L -51.7501 -26.6696 -294.214 -372.6337 133 23 6 13202 6 35 28
K-O -32.3163 -24.2465 -287.034 -343.5968 129 10 6 12562 4 34 31
K-P 0.0 0.0 -0.0036 -0.0036 2 0 0 4 0 0 0
K-Q 0.0 14.4984 -54.1005 -39.6021 46 3 0 2629 0 14 15
K-R 0.0 65.9554 -4.6441 61.3113 14 0 0 282 0 6 4
L-M -65.2983 -36.7236 -283.697 -385.7189 128 25 5 13111 7 35 30
L-P -7.8908 6.2933 -49.3759 -50.9734 45 6 0 2566 0 14 14
L-Q 0.0 67.4767 -8.0826 59.3941 14 0 0 433 0 7 4
L-T 0.0 0.0 -0.0073 -0.0073 2 0 0 6 0 0 1
M-N -40.9815 36.1894 -296.131 -300.9231 132 18 6 13131 6 33 29
M-P 0.0 72.6679 -5.8243 66.8436 14 0 0 294 0 6 4
M-T 0.0 9.286 -53.2118 -43.9258 49 4 0 2766 0 14 15
N-O -32.6877 -11.9543 -306.615 -351.257 128 11 6 12762 6 34 30
N-R 0.0 0.0 -0.0005 -0.0005 2 0 0 1 0 0 1
N-S 0.0 2.7558 -52.0586 -49.3028 45 1 0 2494 0 14 14
N-T 0.0 69.6184 -6.6057 63.0127 14 0 0 368 0 6 4
O-Q 0.0 0.0 -0.0026 -0.0026 2 0 0 3 0 0 0
O-R 0.0 15.9638 -73.845 -57.8812 46 3 0 2939 0 13 14
O-S 0.0 65.3314 -6.1012 59.2302 14 0 0 383 0 6 4
P-Q -22.954 18.5493 -305.4 -309.8047 130 19 6 13211 7 33 33
P-T -31.9864 -37.2413 -292.662 -361.8898 128 15 5 12795 7 33 30
Q-R -29.1195 -15.3313 -288.674 -333.1247 128 13 5 12729 5 32 29
R-S -36.8906 13.624 -291.045 -314.3116 128 11 6 12777 5 34 30
S-T -28.7362 14.1974 -307.95 -322.4888 126 9 6 13083 5 34 31