3FA4
crystal structure of 2,3-dimethylmalate lyase, a pep mutase/isocitrate lyase superfamily member, triclinic crystal form
Total interactions analyzed 66
Total true interactions 28
Strongest Interaction Chains I-J
Int. Res. 228
Norm. En. per Res. -4.154
Hub Node B(6)
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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 -101.0725 4.5203 -798.642 -895.1942 238 31 40 33477 0 37 41
A-C -39.5468 -39.0967 -269.711 -348.3545 128 5 6 10208 9 21 18
A-D -24.0126 28.8953 -103.863 -98.9804 67 18 3 5052 0 8 6
A-K 0.0 0.0 -0.0054 -0.0054 6 0 0 5 0 5 5
A-L 0.0 -5.6627 -1.6576 -7.3204 6 0 0 190 0 5 7
B-C -7.3826 30.3999 -115.838 -92.8207 73 21 4 5685 0 16 12
B-D -67.1083 -46.8583 -301.948 -415.9146 138 22 6 11674 10 22 17
B-F -9.4417 4.4204 -36.7739 -41.7952 37 3 0 1581 0 17 17
B-G 0.0 12.0949 -0.0286 12.0664 4 0 0 4 0 0 4
B-K 0.0 11.5923 -3.1509 8.4414 12 0 0 340 0 14 13
B-L 0.0 0.0 -0.0021 -0.0021 3 0 0 6 0 3 5
C-D -138.4506 10.1807 -844.567 -972.8369 238 27 37 33922 0 38 44
C-G -7.596 -1.198 -34.381 -43.1749 32 0 0 1349 0 17 15
E-F -135.8744 5.1162 -813.47 -944.2282 241 34 37 33473 0 40 40
E-G -46.116 -44.7928 -287.431 -378.3399 133 8 6 11032 10 20 19
E-H -20.795 27.7123 -89.3263 -82.4089 57 18 3 4550 0 8 6
F-G -17.9524 27.7933 -101.036 -91.1951 67 16 4 5319 0 10 9
F-H -52.5865 -46.9975 -289.518 -389.102 130 10 6 10938 11 20 18
F-K -8.2958 -12.9816 -77.7618 -99.0392 47 5 0 3202 3 25 23
F-L 0.0 -7.2953 -0.0426 -7.338 5 0 0 29 0 3 4
G-H -112.3252 13.7581 -818.276 -916.8431 226 27 37 33561 0 36 38
H-K 0.0 0.0 -0.0191 -0.0191 5 0 0 3 0 0 0
I-J -139.3928 8.2313 -815.947 -947.1085 228 36 40 33610 0 37 39
I-K -33.4986 -45.4535 -241.833 -320.785 118 8 7 9300 10 23 18
I-L -9.2968 27.157 -110.759 -92.8987 77 21 4 5629 0 12 10
J-K -15.6585 30.0622 -83.7763 -69.3726 51 13 4 4211 0 7 6
J-L -75.6476 -45.4583 -238.678 -359.7838 113 13 6 9237 10 20 19
K-L -125.253 4.873 -867.309 -987.6891 244 27 40 34667 1 39 43