1KV6

x-ray structure of the orphan nuclear receptor err3 ligand- binding domain in the constitutively active conformation

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 45
  • Norm. En. per Res.: -3.3937
• 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	-41.5516	-65.8614	-283.665	-391.078	124	17	1	11980	5	52	38
A-C	-13.5801	-1.2285	-123.352	-138.1606	45	8	7	5324	0	14	10
B-D	-27.0558	-2.1945	-123.467	-152.7173	45	14	7	5670	0	14	10

Interface residues

• A-B: ALA348A, ALA348B, ALA373A, ALA373B, ALA375A, ALA375B, ALA398A, ALA398B, ALA414A, ALA414B, ARG412A, ARG412B, ARG413A, ARG413B, ARG425A, ARG425B, ASN346B, ASN347A, ASN347B, ASN376A, ASN376B, ASP344A, ASP344B, ASP378A, ASP378B, ASP393A, ASP393B, ASP401A, ASP401B, ASP410A, ASP410B, GLN351A, GLN351B, GLN389A, GLN389B, GLN392A, GLN392B, GLN400A, GLN400B, GLN426A, GLN426B, GLU307A, GLU307B, GLU383A, GLU383B, GLU386A, GLU386B, GLU397A, GLU397B, GLY415A, GLY415B, HIS381A, HIS381B, HIS396A, HIS396B, ILE349B, ILE372A, ILE372B, ILE382A, ILE382B, LEU343B, LEU345B, LEU350B, LEU352A, LEU352B, LEU369B, LEU391A, LEU391B, LEU395A, LEU395B, LEU399A, LEU399B, LEU418A, LEU418B, LEU421A, LEU421B, LEU423A, LEU423B, LEU424A, LEU424B, LYS354A, LYS354B, LYS355A, LYS355B, LYS390A, LYS390B, LYS416A, LYS416B, LYS430A, LYS430B, MET359A, MET359B, MET380A, MET380B, MET417A, MET417B, MET419A, MET419B, PRO411A, PRO411B, PRO422A, PRO422B, SER303A, SER303B, SER358A, SER358B, SER377A, SER377B, SER379A, SER379B, SER428A, SER428B, THR420A, THR420B, THR427A, THR427B, THR429A, THR429B, VAL385A, VAL385B, VAL388A, VAL388B, VAL394A, VAL394B
• A-C: ALA283A, ALA295A, ALA456A, ARG692C, ASP273A, ASP296A, GLN297A, GLN302A, GLN695C, GLU452A, GLU455A, GLU696C, GLY281A, HIS447A, HIS687C, HIS691C, ILE279A, ILE280A, ILE689C, LEU276A, LEU292A, LEU294A, LEU300A, LEU301A, LEU374A, LEU449A, LEU451A, LEU690C, LEU693C, LEU694C, LYS284A, LYS448A, LYS688C, MET298A, MET453A, PHE289A, PHE450A, SER290A, SER293A, SER299A, SER303A, TRP282A, TRP305A, VAL277A, VAL278A
• B-D: ALA283B, ALA295B, ALA456B, ARG692D, ASP273B, ASP296B, GLN297B, GLN302B, GLN695D, GLU452B, GLU455B, GLU696D, GLY281B, GLY697D, HIS447B, HIS687D, HIS691D, ILE279B, ILE280B, ILE689D, LEU276B, LEU292B, LEU294B, LEU300B, LEU301B, LEU374B, LEU449B, LEU451B, LEU690D, LEU693D, LEU694D, LYS284B, LYS448B, LYS688D, MET298B, MET453B, PHE289B, PHE450B, SER290B, SER293B, SER299B, SER303B, TRP305B, VAL277B, VAL278B