2EWP

crystal structure of estrogen related receptor-3 (err-gamma) ligand binding domaind with tamoxifen analog gsk5182

• Total interactions analyzed: 10
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 125
  • Norm. En. per Res.: -3.2922
• Hub Node: A(3)

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	-32.7163	-74.7051	-304.103	-411.5244	125	12	1	12734	7	51	42
A-C	0.0	5.4005	-0.2068	5.1937	12	0	0	55	0	5	14
A-D	-3.9653	-10.3493	-100.817	-115.1317	52	2	2	4295	1	21	27
C-D	-26.6651	-63.8591	-317.57	-408.0942	132	14	1	13121	4	52	41
C-E	0.0	0.0	-3.7396	-3.7396	13	1	0	274	0	4	6

Interface residues

• A-B: ALA348A, ALA348B, ALA373A, ALA373B, ALA375A, ALA375B, ALA398A, ALA398B, ALA414A, ALA414B, ARG412A, ARG412B, ARG413A, ARG413B, ARG425A, ARG425B, ASN235B, ASN347A, ASN347B, ASN376A, ASN376B, ASN437B, ASP344A, ASP344B, ASP378A, ASP378B, ASP393A, ASP393B, ASP401A, ASP401B, ASP410A, ASP410B, GLN351A, GLN351B, GLN389A, GLN389B, GLN392A, GLN392B, GLN400A, GLN400B, GLN426A, GLN426B, GLN433A, GLN433B, GLU307A, GLU307B, GLU383B, GLU386B, GLU397A, GLU397B, GLY415A, GLY415B, HIS381A, HIS381B, HIS396A, HIS396B, HIS434B, ILE372A, ILE372B, ILE382A, ILE382B, LEU343A, 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, SER428B, THR420A, THR420B, THR427A, THR427B, THR429A, THR429B, TYR356A, VAL385A, VAL385B, VAL388B, VAL394A, VAL394B, VAL432B
• A-C: ASN347C, ASP259A, ASP333A, ASP335A, ASP335C, ASP344C, GLN336A, GLU334C, LEU339A, LEU343C, LYS338C, PRO258A
• A-D: ALA251A, ALA295D, ALA327A, ARG274A, ASP254A, ASP259A, ASP270A, ASP296D, ASP328A, ASP329A, ASP384D, GLN297D, GLN302D, GLU383D, GLU441D, GLU455D, HIS381D, HIS447D, ILE249A, ILE331A, ILE382D, LEU292D, LEU294D, LEU300D, LEU301D, LEU451D, LEU454D, LYS248A, LYS263A, LYS448D, MET252A, MET298D, MET380D, MET446D, PHE435D, PHE450D, PRO253A, PRO255A, PRO445D, SER293D, SER299D, SER303D, SER379D, THR256A, THR266A, THR267A, TRP305D, TYR250A, TYR330A, TYR436D, VAL257A, VAL432D
• C-D: ALA348C, ALA348D, ALA371D, ALA373C, ALA373D, ALA375C, ALA375D, ALA398C, ALA398D, ALA414C, ALA414D, ALA431C, ALA431D, ARG412C, ARG412D, ARG413C, ARG413D, ARG425C, ARG425D, ASN347C, ASN347D, ASN376C, ASN376D, ASN437C, ASN437D, ASP344C, ASP344D, ASP378C, ASP378D, ASP384D, ASP393C, ASP393D, ASP401C, ASP401D, ASP410C, ASP410D, GLN351C, GLN351D, GLN389C, GLN389D, GLN392C, GLN392D, GLN400C, GLN400D, GLN426C, GLN426D, GLN433C, GLN433D, GLU307C, GLU307D, GLU383D, GLU386D, GLU397C, GLU397D, GLY415C, GLY415D, HIS381C, HIS381D, HIS396C, HIS396D, ILE372C, ILE372D, ILE382C, ILE382D, LEU343C, LEU343D, LEU345D, LEU350C, 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, SER428C, SER428D, THR420C, THR420D, THR427C, THR427D, THR429C, THR429D, VAL385C, VAL385D, VAL388C, VAL388D, VAL394C, VAL394D, VAL432C, VAL432D
• C-E: ASN347E, ASN437E, ASP261C, ASP344E, GLU334E, HIS434E, ILE262C, ILE438E, LEU265C, LEU343E, LYS338E, LYS443C, SER260C