3FA3
crystal structure of 2,3-dimethylmalate lyase, a pep mutase/isocitrate lyase superfamily member, trigonal crystal form
Total interactions analyzed 114
Total true interactions 33
Strongest Interaction Chains K-P
Int. Res. 8
Norm. En. per Res. -4.8549
Hub Node A(8)
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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 -171.4517 5.9308 -917.496 -1083.0169 277 39 43 38762 1 60 50
A-C -64.9842 -53.6225 -297.351 -415.9576 143 7 7 11794 10 23 19
A-D -13.3756 31.9793 -111.324 -92.7203 63 10 4 5046 0 6 6
A-E -14.4272 -48.2906 -18.4998 -81.2176 23 4 0 979 2 13 13
A-F 0.0 0.0 -0.0989 -0.0989 7 0 0 30 0 5 5
A-I -21.602 10.632 -95.8786 -106.8486 50 7 8 3795 0 8 13
A-K 0.0 0.0 -12.6461 -12.6461 26 0 0 531 0 8 5
A-P 0.0 0.0 -0.0396 -0.0396 6 0 0 28 0 6 6
B-C -3.9129 30.8846 -91.0758 -64.104 60 22 4 5070 0 7 6
B-D -64.9202 -46.905 -292.238 -404.0632 143 14 7 11933 10 22 19
B-E 0.0 1.3382 -0.0494 1.2888 5 0 0 22 0 7 3
B-F 0.0 0.0 -0.6812 -0.6812 8 0 0 93 0 8 10
B-I 0.0 -0.8499 -23.6231 -24.473 14 1 0 943 0 5 4
B-O 0.0 -0.4769 -31.3691 -31.846 31 4 0 2054 3 15 17
B-P 0.0 2.8468 -0.5449 2.3019 10 0 0 84 0 6 4
C-D -149.3974 4.807 -958.568 -1103.1584 275 48 46 39536 2 58 50
C-K 0.0 7.7829 -36.0848 -28.3019 35 0 0 1686 0 15 15
E-F -145.6705 8.0614 -931.629 -1069.2381 271 45 43 39229 1 59 47
E-G -49.941 -51.7678 -306.758 -408.4668 143 13 7 12093 10 23 19
E-H -14.0358 30.1739 -111.868 -95.7299 60 13 4 4985 0 6 6
E-I 0.0 0.0 -0.0014 -0.0014 2 0 0 1 0 2 2
F-G -9.6426 27.9749 -107.946 -89.6138 60 19 4 5249 0 6 7
F-H -60.3088 -40.8327 -292.651 -393.7926 141 12 7 11903 10 21 20
G-H -113.7963 6.7913 -950.071 -1057.076 275 39 46 39138 4 58 49
I-J -148.371 9.2218 -929.739 -1068.8882 253 35 43 37530 3 47 45
I-K -55.6875 -41.0142 -297.828 -394.5297 140 15 6 11753 10 22 21
I-L -13.2788 27.2251 -94.4777 -80.5314 64 25 4 4990 0 7 7
I-N 0.0 0.0 -0.3236 -0.3236 15 0 0 86 0 6 4
I-P 0.0 0.0 -0.7899 -0.7899 12 0 0 151 0 5 5
J-K -16.815 32.3506 -100.424 -84.8884 59 10 4 4958 0 8 6
J-L -50.382 -50.2964 -268.476 -369.1544 137 19 6 11011 10 22 19
K-L -118.9742 3.428 -864.395 -979.9411 272 49 43 38025 2 59 49
K-P -15.7853 -20.0105 -3.0432 -38.839 8 2 0 336 2 2 4