3HQP
crystal structure of leishmania mexicana pyruvate kinase (lmpyk) in complex with atp, oxalate and fructose 2,6 bisphosphate
Total interactions analyzed 120
Total true interactions 27
Strongest Interaction Chains M-N
Int. Res. 29
Norm. En. per Res. -4.9028
Hub Node A(4)
Click on the Nodes or Edges in the network to see the details
Weak Strong
Width of edge <-> No. of inter. res.
All Interactions
Download
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 -110.4633 -40.8815 -298.939 -450.2838 108 18 8 12213 5 39 41
A-C -93.6728 -23.3728 -689.878 -806.9236 252 34 31 31830 4 59 50
A-M 0.0 0.0 -3.6014 -3.6014 17 0 0 335 0 7 4
A-O 0.0 44.9408 7 ASP112A, ASP117A, ASP185O, ASP221O, GLU158A, GLU217O, LYS224O
B-D -92.1715 -26.9688 -667.123 -786.2632 253 34 31 31791 4 59 50
C-D -115.8594 -36.7666 -308.34 -460.9661 107 15 9 12475 5 39 40
C-G 0.0 -7.1747 -13.9148 -21.0895 13 1 0 565 1 12 10
C-I 0.0 -4.9245 -35.0382 -39.9627 24 1 1 1767 1 9 11
D-I -20.8018 20.8321 -109.412 -109.3817 67 5 0 4859 7 38 46
D-J 0.0 -7.1219 -36.2685 -43.3904 23 0 1 1785 1 9 11
D-N 0.0 37.5377 0.0 37.5377 4 0 0 0 0 1 0
E-F -94.88 -30.8735 -311.968 -437.7215 107 18 9 12469 5 42 41
E-G -82.9202 -22.0916 -660.797 -765.8088 254 23 32 31060 2 60 51
E-I 0.0 0.0 -0.4291 -0.4291 10 0 0 127 0 5 4
E-K -5.207 0.0 -23.6978 -28.9048 20 4 0 1163 0 5 7
F-H -78.7265 -10.2904 -696.784 -785.8009 254 29 31 32466 3 62 50
G-H -96.4624 -52.7605 -317.135 -466.3578 111 15 8 12884 4 39 42
I-J -96.3114 -33.8704 -313.689 -443.8708 108 12 8 12903 4 40 41
I-K -96.0073 -18.6444 -678.324 -792.9757 254 42 32 32116 3 60 51
I-N 0.0 -2.4425 0.0 -2.4425 2 0 0 0 0 0 0
J-L -97.8726 -26.7605 -670.08 -794.7131 256 35 31 31711 4 61 50
K-L -90.8031 -40.2897 -316.337 -447.4298 108 15 8 12701 5 40 42
K-P 0.0 4.0208 2 ASP474K, GLU35P
M-N -95.2062 -46.9742 0.0 -142.1803 29 0 0 0 0 0 0
M-O -52.2232 -36.3438 32 ARG103M, ARG262M, ARG262O, ARG307M, ARG307O, ARG310M, ARG310O, ARG348M, ARG348O, ASP13M, ASP13O, ASP145M, ASP145O, ASP315M, ASP315O, GLU272M, GLU272O, GLU300M, GLU300O, GLU312M, GLU312O, GLU352M, GLU352O, HIS5M, HIS5O, ILE147M, ILE147O, LYS273M, LYS273O, LYS279M, LYS279O, LYS337O
N-P -86.9591 -11.1113 39 ARG103N, ARG103P, ARG262N, ARG262P, ARG307N, ARG307P, ARG310N, ARG310P, ARG348N, ARG348P, ASN6N, ASP13N, ASP145N, ASP145P, ASP315N, ASP315P, GLN297N, GLU272N, GLU272P, GLU300N, GLU300P, GLU312N, GLU312P, GLU352N, GLU352P, GLY146N, GLY146P, HIS5N, HIS5P, ILE11N, ILE11P, ILE147N, LYS273N, LYS273P, LYS279N, LYS279P, LYS337N, LYS337P, SER283P
O-P -89.8137 -51.9423 31 ARG493O, ARG493P, ASN490O, ASN490P, ASP482O, ASP482P, GLN491O, GLN491P, GLU378O, GLU378P, GLU390O, GLU390P, GLU454O, GLU454P, HIS480O, HIS483O, HIS483P, ILE494O, ILE494P, LYS367O, LYS367P, LYS484O, LYS484P, MET374O, MET374P, SER382O, SER383O, SER383P, THR391P, THR492O, THR492P