2XX7
crystal structure of 1-(4-(1-pyrrolidinylcarbonyl)phenyl)-3- (trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazole in complex with the ligand binding domain of the rat glua2 receptor and glutamate at 2.2a resolution.
Total interactions analyzed 3
Total true interactions 3
Strongest Interaction Chains A-C
Int. Res. 105
Norm. En. per Res. -2.0715
Hub Node A(2)
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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 -25.4255 7.6055 -59.7379 -77.5579 52 5 0 2719 5 33 33
A-C -39.8307 -0.446 -177.236 -217.5127 105 2 4 8601 4 41 35
B-C 0.0 0.0 -3.4502 -3.4502 14 0 0 347 0 6 9