3H0A

crystal structure of peroxisome proliferator-activated receptor gamma (pparg) and retinoic acid receptor alpha (rxra) in complex with 9-cis retinoic acid, co-activator peptide, and a partial agonist

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 49
  • Norm. En. per Res.: -3.9325
• Hub Node: A(2)

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-D	-2.3107	-36.9751	-184.522	-223.8078	105	7	6	9452	0	49	39
A-B	-4.2038	-5.7011	-61.4613	-71.3661	37	2	4	3432	0	5	2
D-E	-43.5962	-6.5369	-142.559	-192.692	49	10	6	6667	0	7	6

Interface residues

• A-D: ALA344A, ALA391A, ALA398A, ALA402A, ALA416A, ALA424A, ALA433D, ARG348A, ARG393A, ARG397D, ARG414A, ARG421A, ARG426A, ARG443D, ASN377A, ASN412D, ASP359A, ASP379A, ASP396D, ASP408D, ASP411D, ASP441D, GLN410D, GLN415D, GLN430D, GLN437D, GLN444D, GLN451D, GLN454D, GLU207D, GLU307A, GLU324D, GLU352A, GLU369D, GLU390A, GLU394A, GLU401A, GLU407D, GLU418D, GLU434A, GLU448D, GLY395D, GLY399D, GLY413A, GLY429A, HIS435A, ILE373A, ILE391D, ILE428A, ILE445D, LEU353A, LEU370A, LEU377D, LEU393D, LEU400A, LEU400D, LEU414D, LEU417D, LEU418A, LEU419A, LEU420A, LEU422A, LEU425A, LEU430A, LEU431D, LEU435D, LEU436D, LEU442D, LYS356A, LYS373D, LYS381A, LYS395A, LYS404D, LYS405A, LYS417A, LYS422D, LYS431A, LYS434D, LYS438D, MET439D, PHE370D, PHE376A, PHE387D, PHE415A, PHE432D, PRO378A, PRO398D, PRO412A, PRO423A, SER380A, SER394D, SER399A, SER427A, SER428D, SER429D, THR351A, THR440D, THR447D, TYR320D, TYR397A, TYR477D, VAL374A, VAL390D, VAL396A, VAL403D
• A-B: ALA283A, ARG302A, ASP295A, ASP296A, ASP448A, GLN297A, GLN635B, GLU281A, GLU453A, HIS631B, ILE299A, LEU276A, LEU279A, LEU294A, LEU300A, LEU301A, LEU451A, LEU633B, LEU636B, LEU637B, LYS284A, LYS632B, MET452A, MET454A, PHE277A, PHE289A, PHE450A, PRO293A, SER290A, SER630B, THR449A, THR629B, THR638B, THR639B, VAL280A, VAL298A, VAL634B
• D-E: ALA300D, ASN312D, ASP310D, ASP313D, ASP475D, GLN294D, GLN314D, GLN470D, GLN635E, GLU291D, GLU295D, GLU298D, GLU471D, GLY321D, HIS466D, HIS631E, ILE296D, ILE392D, ILE472D, LEU309D, LEU311D, LEU317D, LEU318D, LEU468D, LEU469D, LEU633E, LEU636E, LEU637E, LYS301D, LYS319D, LYS474D, LYS632E, PHE306D, PRO467D, SER630E, THR297D, THR316D, THR629E, THR638E, THR639E, THR640E, TYR320D, TYR473D, VAL290D, VAL293D, VAL307D, VAL315D, VAL322D, VAL634E