2AF6
crystal structure of mycobacterium tuberculosis flavin dependent thymidylate synthase (mtb thyx) in the presence of co-factor fad and substrate analog 5-bromo-2'-deoxyuridine-5'-monophosphate (brdump)
Total interactions analyzed 28
Total true interactions 15
Strongest Interaction Chains F-H
Int. Res. 152
Norm. En. per Res. -4.283
Hub Node B(4)
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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 -16.4315 10.7247 -11.4508 -17.1576 30 4 0 1037 8 13 33
A-C -135.9418 -61.6243 -440.135 -637.7011 153 26 26 17403 4 18 25
A-D -88.7823 -101.8234 -480.303 -670.9087 195 20 18 20408 7 74 85
B-C -63.1014 -103.8083 -459.977 -626.8866 192 19 18 19856 10 74 85
B-D -116.4448 -57.102 -453.532 -627.0788 151 20 26 17599 5 18 23
B-F -11.8075 11.57 -96.9538 -97.1913 58 3 2 4386 0 10 6
B-H -23.5574 -17.6426 -30.2076 -71.4076 45 2 0 1455 3 12 15
C-D -17.8599 10.6402 -16.0243 -23.244 30 4 0 1042 8 12 34
D-H -11.0841 -25.1964 -17.893 -54.1735 26 0 0 944 4 9 10
E-F -14.5767 10.5171 -12.5144 -16.574 30 4 0 1047 8 11 31
E-G -119.8801 -42.6365 -445.732 -608.2486 154 18 26 17375 3 18 24
E-H -62.8742 -93.6373 -451.214 -607.7256 191 19 19 19848 8 74 84
F-G -103.3535 -107.186 -482.331 -692.8704 192 19 18 20041 8 74 84
F-H -125.4066 -59.6439 -465.959 -651.0094 152 25 27 18002 4 18 24
G-H -16.3311 10.7451 -9.4175 -15.0036 30 4 0 1064 8 12 33