2XX9
crystal structure of 1-((2-fluoro-4-(3-(trifluoromethyl)-4,5,6,7- tetrahydro-1h-indazol-1-yl)phenyl)methyl)-2-pyrrolidinone 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. 106
Norm. En. per Res. -1.9394
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 -13.0568 1.0222 -59.5031 -71.5377 45 2 0 2500 4 28 28
A-C -45.2751 1.4988 -161.804 -205.5802 106 6 4 8149 2 42 35
B-C 0.0 0.0 -2.4431 -2.4431 13 0 0 291 0 6 9