2ZY0

crystal structure of the human rxr alpha ligand binding domain bound to a synthetic agonist compound and a coactivator peptide

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 46
  • Norm. En. per Res.: -4.2592
• 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	-32.9139	-10.9018	-152.106	-195.9217	46	3	8	6060	0	20	8
A-C	-34.9762	-101.7832	-228.238	-364.9974	110	7	8	11277	12	51	40
C-D	-11.5704	-14.2121	-135.508	-161.2905	46	4	8	5815	0	25	9

Interface residues

• A-B: ALA283A, ALA303A, ALA457A, ARG302A, ARG477B, ASP273A, ASP295A, ASP296A, ASP448A, ASP481B, GLN297A, GLN480B, GLU281A, GLU453A, GLU456A, HIS472B, HIS476B, ILE299A, ILE474B, LEU276A, LEU279A, LEU292A, LEU294A, LEU300A, LEU301A, LEU375A, LEU451A, LEU455A, LEU475B, LEU478B, LEU479B, LYS284A, LYS473B, MET452A, MET454A, PHE277A, PHE289A, PHE450A, PRO293A, PRO458A, SER290A, THR278A, THR449A, TRP305A, VAL280A, VAL298A
• A-C: ALA344A, ALA344C, ALA387A, ALA387C, ALA391A, ALA391C, ALA398A, ALA398C, ALA416A, ALA416C, ALA424A, ALA424C, ARG348A, ARG348C, ARG393A, ARG393C, ARG414A, ARG414C, ARG421A, ARG421C, ARG426A, ARG426C, ASN377A, ASN377C, ASP347A, ASP347C, ASP359A, ASP359C, ASP379A, ASP379C, GLU307A, GLU307C, GLU352A, GLU352C, GLU390A, GLU390C, GLU394A, GLU394C, GLU401A, GLU401C, GLU434A, GLU434C, GLY343C, GLY413A, GLY413C, GLY429A, ILE345A, ILE345C, ILE373A, ILE373C, ILE428A, ILE428C, LEU350A, LEU353A, LEU353C, LEU370A, LEU370C, LEU400A, LEU400C, LEU418A, LEU418C, LEU419A, LEU419C, LEU420A, LEU420C, LEU422A, LEU422C, LEU425A, LEU425C, LEU430A, LEU430C, LEU433C, LYS356A, LYS356C, LYS381A, LYS381C, LYS405A, LYS405C, LYS417A, LYS417C, LYS431A, LYS431C, PHE346C, PHE376A, PHE376C, PHE415A, PHE415C, PHE437C, PRO378A, PRO378C, PRO386A, PRO386C, PRO412A, PRO412C, PRO423A, PRO423C, SER380A, SER380C, SER427A, SER427C, THR351A, THR351C, TYR397A, TYR397C, VAL349A, VAL349C, VAL374A, VAL374C, VAL396A, VAL396C
• C-D: ALA283C, ALA303C, ALA457C, ARG302C, ARG477D, ASP273C, ASP295C, ASP296C, ASP448C, ASP481D, GLN297C, GLN480D, GLU281C, GLU453C, GLU456C, HIS472D, HIS476D, ILE299C, ILE474D, LEU276C, LEU279C, LEU292C, LEU294C, LEU300C, LEU301C, LEU375C, LEU451C, LEU475D, LEU478D, LEU479D, LYS284C, LYS471D, LYS473D, MET452C, MET454C, PHE277C, PHE289C, PHE450C, PRO293C, PRO458C, SER290C, THR278C, THR449C, TRP305C, VAL280C, VAL298C