3SP9

structural basis for iloprost as a dual pparalpha/delta agonist

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 99
  • Norm. En. per Res.: -2.5625
• Hub Node: A(1)

All Interactions

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
A-B	-9.8179	-9.4463	-234.427	-253.6912	99	13	2	9514	6	40	41

Interface residues

• A-B: ALA354A, ALA354B, ALA404A, ALA404B, ALA414A, ALA414B, ARG361A, ARG361B, ARG379A, ARG379B, ARG407A, ARG407B, ARG419A, ARG419B, ASP360A, ASP360B, ASP375A, ASP375B, ASP405A, ASP405B, CYS358A, CYS358B, GLN374A, GLN374B, GLN393A, GLN393B, GLN401A, GLN401B, GLN408A, GLN408B, GLN415A, GLN415B, GLN418A, GLN418B, GLU288A, GLU288B, GLU371A, GLU371B, GLU382A, GLU382B, GLU412A, GLU412B, GLY359A, GLY359B, GLY363A, GLY363B, ILE355A, ILE355B, ILE377A, LEU175A, LEU175B, LEU357A, LEU357B, LEU378A, LEU378B, LEU381A, LEU395A, LEU395B, LEU399A, LEU399B, LEU400A, LEU400B, LEU406A, LEU406B, LEU409A, LEU409B, LYS337A, LYS337B, LYS398A, LYS398B, LYS402A, LYS402B, LYS422B, MET403A, MET403B, MET440A, MET440B, PHE334A, PHE334B, PHE396A, PHE396B, PRO362A, PRO362B, PRO368A, PRO368B, PRO397A, PRO397B, THR411A, THR411B, TYR284A, TYR284B, TYR394A, TYR394B, TYR441A, TYR441B, VAL367A, VAL367B, VAL410A, VAL410B