2I4P

crystal structure of the complex between ppargamma and the partial agonist lt127 (ureidofibrate derivative). structure obtained from crystals of the apo-form soaked for 30 days.

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 98
  • Norm. En. per Res.: -2.0757
• 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	0.0	-35.8496	-167.569	-203.4187	98	10	5	8241	3	37	30

Interface residues

• A-B: ALA376B, ALA416A, ALA416B, ALA433A, ALA433B, ARG397A, ARG397B, ARG443A, ARG443B, ASN412A, ASN412B, ASP396A, ASP396B, ASP408A, ASP408B, ASP411A, ASP411B, ASP441A, ASP441B, GLN410A, GLN410B, GLN415A, GLN415B, GLN430A, GLN430B, GLN437A, GLN437B, GLN444A, GLN444B, GLN451A, GLN451B, GLU324A, GLU324B, GLU407A, GLU407B, GLU418A, GLU418B, GLU448A, GLU448B, GLY395A, GLY395B, ILE391A, ILE391B, ILE406B, ILE409B, ILE445B, LEU377B, LEU393A, LEU393B, LEU413A, LEU413B, LEU414A, LEU414B, LEU417A, LEU417B, LEU419A, LEU419B, LEU431A, LEU431B, LEU435A, LEU435B, LEU436A, LEU436B, LEU442A, LEU442B, LEU476A, LYS373A, LYS373B, LYS404A, LYS422A, LYS422B, LYS434A, LYS434B, LYS438A, LYS438B, MET439A, MET439B, PHE374B, PHE387A, PHE387B, PHE432A, PHE432B, PRO398A, SER394A, SER394B, SER428A, SER429A, SER429B, THR440A, THR440B, THR447A, THR447B, VAL390A, VAL390B, VAL403A, VAL403B, VAL446A, VAL446B