3R29

crystal structure of rxralpha ligand-binding domain complexed with corepressor smrt2

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 109
  • Norm. En. per Res.: -3.5167
• 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	-37.6927	-105.4469	-240.181	-383.3207	109	14	8	11571	12	56	44
A-C	-8.0607	-49.0389	-88.1756	-145.2752	46	6	6	5570	3	9	9
B-D	-8.3207	-25.3819	-76.4843	-110.1869	39	4	7	4574	1	8	7

Interface residues

• A-B: ALA387A, ALA387B, ALA391A, ALA391B, ALA398A, ALA398B, ALA416A, ALA416B, ALA424A, ALA424B, ARG334B, ARG348A, ARG348B, ARG393A, ARG393B, ARG414A, ARG414B, ARG421A, ARG421B, ARG426A, ARG426B, ASN377A, ASN377B, ASP347B, ASP359A, ASP359B, ASP379A, ASP379B, GLN411B, GLU307A, GLU307B, GLU352A, GLU352B, GLU390A, GLU390B, GLU394A, GLU394B, GLU401A, GLU401B, GLU434A, GLU434B, GLY413A, GLY413B, GLY429A, GLY429B, ILE373A, ILE373B, ILE428A, ILE428B, LEU353A, LEU353B, LEU370A, LEU370B, LEU383A, LEU383B, LEU400A, LEU400B, LEU418A, LEU418B, LEU419A, LEU419B, LEU420A, LEU420B, LEU422A, LEU422B, LEU425A, LEU425B, LEU430A, LEU430B, LEU433A, LEU433B, LEU441A, LEU441B, LYS356A, LYS356B, LYS381A, LYS381B, LYS405A, LYS405B, LYS417A, LYS417B, LYS431A, LYS431B, MET360A, PHE376A, PHE415A, PHE415B, PHE438A, PRO378A, PRO378B, PRO386A, PRO386B, PRO412A, PRO412B, PRO423A, PRO423B, SER355B, SER380A, SER380B, SER427A, SER427B, THR351A, THR351B, TYR397A, TYR397B, VAL374A, VAL374B, VAL389B, VAL396A
• A-C: ALA2343C, ALA2348C, ALA272A, ALA283A, ALA303A, ARG2346C, ARG302A, ASN2338C, ASP273A, ASP295A, GLN297A, GLU2342C, GLU281A, GLU453A, GLY2340C, GLY2351C, GLY382A, ILE2344C, ILE2345C, ILE299A, LEU2341C, LEU2349C, LEU276A, LEU279A, LEU292A, LEU294A, LEU300A, LEU301A, LYS2347C, LYS2352C, LYS274A, LYS284A, MET2339C, MET2350C, MET452A, MET454A, PHE277A, PHE289A, PRO293A, SER290A, THR2337C, THR278A, TRP282A, TRP305A, VAL280A, VAL298A
• B-D: ALA2343D, ALA2348D, ALA272B, ALA283B, ARG2346D, ARG302B, ASP273B, ASP295B, ASP296B, GLN297B, GLU2342D, GLU281B, GLU453B, GLY2340D, ILE2344D, ILE2345D, ILE299B, LEU2341D, LEU2349D, LEU276B, LEU279B, LEU292B, LEU294B, LEU300B, LEU301B, LEU375B, LEU455B, LYS2347D, LYS284B, LYS381B, MET2350D, MET452B, PHE277B, PHE289B, PRO293B, SER290B, TRP305B, VAL280B, VAL298B