3HQQ
crystal structure of leishmania mexicana pyruvate kinase (lmpyk) in complex with fructose 2,6 bisphosphate
Total interactions analyzed 276
Total true interactions 43
Strongest Interaction Chains M-N
Int. Res. 16
Norm. En. per Res. -3.0524
Hub Node C(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-I -28.1677 -18.5122 -373.108 -419.7879 212 51 32 23861 4 54 42
A-J -10.6575 -27.9195 -202.778 -241.355 105 13 7 10926 2 35 38
B-C -9.1531 -5.9376 -433.669 -448.7596 215 80 27 25932 2 51 42
B-G 0.0 -27.1242 -22.7273 -49.8515 44 3 0 1434 2 24 23
B-O 0.0 -28.1734 16 ARG493B, ARG493O, ASP482B, ASP482O, GLU378B, GLU378O, GLU390B, GLU390O, GLU454B, GLU454O, HIS483B, HIS483O, LYS367B, LYS367O, LYS484B, LYS484O
C-E -8.0887 -70.19 -61.3463 -139.625 67 11 0 2973 6 36 39
C-G 0.0 7.7281 -1.845 5.8831 16 0 0 373 0 2 9
C-I 0.0 0.0 -2.073 -2.073 17 0 0 310 0 7 1
C-N -10.5003 -20.9618 -0.0705 -31.5326 12 0 0 19 0 1 0
C-P 0.0 -24.6394 16 ARG493C, ARG493P, ASP482C, ASP482P, GLU378C, GLU378P, GLU390C, GLU390P, GLU454C, GLU454P, HIS483C, HIS483P, LYS367C, LYS367P, LYS484C, LYS484P
C-V 0.0 -5.4933 5 ASP196V, GLU498C, GLU58V, HIS57V, LYS192V
D-E -16.5175 -33.4075 -259.378 -309.303 105 30 8 11963 2 36 40
D-F -11.1338 -13.5659 -442.971 -467.6706 208 30 24 24351 2 52 42
E-G -6.0492 -8.9477 -440.352 -455.3489 210 49 27 25285 2 51 40
F-G -17.526 -30.909 -130.864 -179.299 102 52 6 11267 2 36 41
H-I -8.3226 -24.0685 -167.666 -200.0571 101 40 5 10322 1 34 39
H-J -24.553 -1.0257 -242.178 -267.7567 219 150 27 27277 2 53 42
H-M 0.0 -4.2701 -8.8475 -13.1175 23 16 1 1767 1 9 11
I-L 0.0 0.0 -0.0015 -0.0015 2 0 0 1 0 2 0
I-M -4.054 26.118 -31.1915 -9.1275 64 27 0 4149 0 38 42
I-N 0.0 -5.6588 0.0 -5.6588 5 0 0 0 0 0 0
J-M 0.0 0.0 -0.0014 -0.0014 2 0 0 1 0 2 0
K-L -9.1807 -27.9866 -212.646 -249.8133 103 32 6 10919 2 34 40
K-M -14.5028 -9.1846 -409.079 -432.7663 220 75 30 26661 2 52 43
K-S 0.0 -5.2639 5 ASP196S, GLU498K, GLU58S, HIS57S, LYS192S
L-N -32.2153 -9.8688 9.2621 -32.8219 89 53 10 7132 0 4 4
L-O 0.0 -23.0465 8 ARG103O, ASP157O, ASP98L, GLU156O, GLU158O, HIS155O, LYS335L, LYS337L
L-S -10.2624 25.6818 14 ARG231L, ARG231S, ASP445L, ASP445S, GLN198L, GLN198S, GLU202L, GLU202S, LYS229L, LYS229S, LYS484L, LYS484S, LYS486L, LYS486S
L-T 0.0 -5.312 4 ASP196L, GLU498T, HIS57L, LYS192L
M-N -18.8308 -30.0069 0.0 -48.8377 16 0 0 0 0 0 0
N-O -6.4836 2.5544 6 ARG136O, ASN305N, ASP183O, ASP249O, GLU58N, LYS335N
N-P 0.0 3.434 2 ASP13P, GLU35N
O-P -12.4484 -8.7793 30 ARG262O, ARG262P, ARG307O, ARG307P, ARG310O, ARG310P, ARG348O, ARG348P, ASP13O, ASP13P, ASP145O, ASP145P, ASP315O, ASP315P, GLN297O, GLN297P, GLU272O, GLU272P, GLU300O, GLU300P, GLU312O, GLU312P, GLU352O, GLU352P, HIS5O, HIS5P, LYS273O, LYS273P, LYS279O, LYS279P
P-U 0.0 -5.4933 5 ASP196P, GLU498U, GLU58P, HIS57P, LYS192P
P-V -7.8641 9.5706 15 ARG231P, ARG231V, ARG404P, ASP232V, ASP445P, ASP445V, GLN198P, GLU202P, GLU202V, LYS229P, LYS229V, LYS484P, LYS484V, LYS486P, LYS486V
Q-R -15.3773 -30.3685 17 ARG493Q, ARG493R, ASP482Q, ASP482R, GLU378Q, GLU378R, GLU390Q, GLU390R, GLU454Q, GLU454R, HIS483Q, HIS483R, LYS367Q, LYS367R, LYS484Q, LYS484R, MET374Q
Q-S -11.9693 -12.2716 31 ARG262Q, ARG262S, ARG307Q, ARG307S, ARG310Q, ARG310S, ARG348Q, ARG348S, ASN6Q, ASP13Q, ASP13S, ASP145Q, ASP145S, ASP315Q, ASP315S, GLN297S, GLU272Q, GLU272S, GLU300Q, GLU300S, GLU312Q, GLU312S, GLU352Q, GLU352S, HIS5Q, HIS5S, LYS273Q, LYS273S, LYS279Q, LYS279S, SER283S
R-T -11.0652 -9.8169 29 ARG262R, ARG262T, ARG307T, ARG310R, ARG310T, ARG348R, ARG348T, ASN6R, ASP13R, ASP13T, ASP145R, ASP315R, ASP315T, GLU272R, GLU272T, GLU300R, GLU300T, GLU312R, GLU312T, GLU352R, GLU352T, HIS5R, HIS5T, ILE11T, LYS273R, LYS273T, LYS279R, LYS279T, SER283T
S-T -30.5661 -31.1882 18 ARG493S, ARG493T, ASP482S, ASP482T, GLN491S, GLN491T, GLU378S, GLU378T, GLU390S, GLU390T, GLU454S, GLU454T, HIS480S, HIS483S, HIS483T, LYS367S, LYS484S, LYS484T
U-V -15.717 -25.4797 17 ARG493U, ARG493V, ASP482U, ASP482V, GLU378U, GLU378V, GLU390U, GLU390V, GLU454U, GLU454V, HIS483U, HIS483V, LYS367U, LYS367V, LYS484U, LYS484V, MET374V
U-W -39.1177 -1.4373 32 ALA311W, ARG262U, ARG262W, ARG307U, ARG307W, ARG310U, ARG310W, ARG348U, ARG348W, ASP13U, ASP13W, ASP145U, ASP145W, ASP315U, ASP315W, GLN297U, GLN297W, GLU272U, GLU272W, GLU300U, GLU300W, GLU312U, GLU312W, GLU352U, GLU352W, GLY263U, HIS5U, HIS5W, LYS273U, LYS273W, LYS279U, LYS279W
V-X -24.4741 -19.064 32 ARG262V, ARG262X, ARG307V, ARG307X, ARG310V, ARG310X, ARG348V, ARG348X, ASN6V, ASN6X, ASP13V, ASP13X, ASP145V, ASP145X, ASP315V, ASP315X, GLN297V, GLU272V, GLU272X, GLU300V, GLU300X, GLU312V, GLU312X, GLU352V, GLU352X, HIS5V, HIS5X, LYS273V, LYS273X, LYS279V, LYS279X, SER283X
W-X -20.3612 -28.1787 17 ARG493W, ARG493X, ASP482W, ASP482X, GLU378W, GLU378X, GLU390W, GLU390X, GLU454W, GLU454X, HIS483W, HIS483X, LYS367W, LYS367X, LYS484W, LYS484X, MET374X