1RDT

crystal structure of a new rexinoid bound to the rxralpha ligand binding doamin in the rxralpha/ppargamma heterodimer

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 43
  • Norm. En. per Res.: -4.0154
• 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-B	-29.1784	2.4661	-145.949	-172.6612	43	12	8	5929	0	16	7
A-D	-36.8041	-56.1212	-229.001	-321.9263	114	12	6	11016	6	56	43
D-E	-5.0853	0.0	-38.868	-43.9533	30	4	0	1843	0	5	6

Interface residues

• A-B: ALA283A, ALA303A, ARG302A, ARG692B, ASP273A, ASP295A, ASP296A, ASP448A, GLN297A, GLN695B, GLU281A, GLU453A, GLU456A, GLY304A, HIS687B, HIS691B, ILE299A, ILE689B, LEU276A, LEU279A, LEU294A, LEU300A, LEU301A, LEU375A, LEU451A, LEU455A, LEU690B, LEU693B, LEU694B, LYS284A, LYS688B, MET452A, MET454A, PHE277A, PHE289A, PHE450A, PRO293A, SER290A, THR278A, THR449A, TRP305A, VAL280A, VAL298A
• A-D: ALA206D, ALA391A, ALA398A, ALA402A, ALA416A, ALA424A, ALA433D, ARG348A, ARG393A, ARG397D, ARG414A, ARG421A, ARG426A, ARG443D, ASN377A, ASP347A, ASP359A, ASP379A, ASP396D, ASP408D, ASP411D, ASP441D, ASP475D, GLN410D, GLN411A, GLN415D, GLN430D, GLN437D, GLN444D, GLN451D, GLN454D, GLU307A, GLU324D, GLU352A, GLU369D, GLU390A, GLU394A, GLU401A, GLU407D, GLU418D, GLU434A, GLU448D, GLY395D, GLY399D, GLY413A, GLY429A, HIS449D, ILE345A, ILE373A, ILE391D, ILE406D, ILE428A, ILE445D, LEU353A, LEU370A, LEU377D, LEU393D, LEU400A, LEU400D, LEU414D, LEU417D, LEU418A, LEU419A, LEU420A, LEU422A, LEU425A, LEU430A, LEU431D, LEU433A, LEU435D, LEU436D, LEU442D, LEU476D, LYS356A, LYS373D, LYS381A, LYS395A, LYS404D, LYS405A, LYS417A, LYS422D, LYS431A, LYS434D, LYS438D, MET360A, MET439D, PHE370D, PHE376A, PHE387D, PHE415A, PHE432D, PRO378A, PRO386A, PRO398D, PRO412A, PRO423A, SER355A, SER380A, SER394D, SER399A, SER427A, SER429D, THR351A, THR440D, THR447D, TYR320D, TYR397A, TYR477D, VAL374A, VAL390D, VAL396A, VAL403D, VAL446D, VAL450D
• D-E: ALA300D, ASN312D, GLN294D, GLN314D, GLN68E, GLU295D, GLU298D, GLU471D, GLU71E, HIS466D, ILE472D, LEU311D, LEU318D, LEU468D, LEU469D, LEU69E, LEU72E, LEU73E, LYS301D, LYS319D, LYS474D, LYS67E, PHE306D, PRO467D, SER70E, THR297D, VAL290D, VAL293D, VAL307D, VAL315D