1S9P

crystal structure of the ligand-binding domain of the estrogen-related receptor gamma in complex with diethylstilbestrol

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 126
  • Norm. En. per Res.: -3.4673
• 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	-32.032	-76.733	-296.347	-405.112	125	8	2	12166	7	54	39
A-D	0.0	7.3473	-155.918	-148.5707	86	10	5	7950	0	28	23
C-D	-51.2882	-98.7009	-286.886	-436.8751	126	23	2	11861	8	50	37

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, GLN433A, GLN433B, GLU307A, GLU307B, GLU386A, GLU386B, GLU397A, GLU397B, GLY415A, GLY415B, HIS381A, HIS381B, HIS396A, HIS396B, ILE349B, ILE372A, ILE372B, ILE382A, ILE382B, LEU343B, LEU345B, LEU350B, LEU352A, LEU352B, LEU369A, 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, THR420A, THR420B, THR427A, THR427B, THR429A, THR429B, VAL385A, VAL385B, VAL388A, VAL388B, VAL394A, VAL394B, VAL432A
• A-D: ALA244A, ALA283A, ALA283D, ALA295D, ALA387A, ALA398A, ARG274D, ASN235A, ASP270D, ASP273D, ASP296D, ASP393A, GLN297A, GLN297D, GLN302D, GLU245A, GLU247A, GLU275D, GLU383D, GLU397A, GLU452D, GLU455D, GLY281A, GLY281D, GLY288A, HIS240A, HIS285A, HIS285D, HIS381D, HIS447D, ILE237A, ILE249A, ILE249D, ILE279A, ILE279D, ILE280A, ILE280D, ILE286A, LEU241A, LEU242A, LEU276D, LEU292A, LEU292D, LEU294A, LEU294D, LEU301D, LEU391A, LEU395A, LEU449D, LEU451D, LEU454D, LYS236A, LYS284A, LYS284D, LYS370A, LYS390A, LYS439D, LYS448D, LYS457D, MET252D, MET298D, MET446D, MET453D, PHE289A, PHE289D, PHE450D, PRO246A, PRO287A, SER239A, SER290A, SER290D, SER293A, SER293D, SER299D, THR291A, THR291D, TRP282A, TRP282D, VAL238A, VAL243A, VAL277A, VAL277D, VAL278A, VAL278D, VAL394A, VAL458D
• C-D: ALA348C, ALA348D, ALA373C, ALA373D, ALA375C, ALA375D, ALA398C, ALA398D, ALA414C, ALA414D, ARG412C, ARG412D, ARG413C, ARG413D, ARG425C, ARG425D, ASN346C, ASN346D, ASN347C, ASN347D, ASN376C, ASN376D, ASP344C, ASP344D, ASP378C, ASP378D, ASP393C, ASP393D, ASP401C, ASP401D, ASP410C, ASP410D, GLN351C, GLN351D, GLN389C, GLN389D, GLN392C, GLN392D, GLN400C, GLN400D, GLN426C, GLN426D, GLN433C, GLN433D, GLU307C, GLU307D, GLU397C, GLU397D, GLY415C, GLY415D, HIS381C, HIS381D, HIS396C, HIS396D, ILE349C, ILE349D, ILE372C, ILE372D, ILE382C, ILE382D, LEU343C, LEU343D, LEU345C, LEU345D, LEU350C, LEU350D, LEU352C, LEU352D, LEU369C, LEU369D, LEU391C, LEU391D, LEU395C, LEU395D, LEU399C, LEU399D, LEU418C, LEU418D, LEU421C, LEU421D, LEU423C, LEU423D, LEU424C, LEU424D, LYS354C, LYS354D, LYS355C, LYS355D, LYS390C, LYS390D, LYS416C, LYS416D, LYS430C, LYS430D, MET359C, MET359D, MET380C, MET380D, MET417C, MET417D, MET419C, MET419D, PRO411C, PRO411D, PRO422C, PRO422D, SER303C, SER303D, SER358C, SER358D, SER377C, SER377D, SER379C, SER379D, THR420C, THR420D, THR427C, THR427D, THR429C, THR429D, VAL385C, VAL385D, VAL388C, VAL388D, VAL394C, VAL394D