2GPV

estrogen related receptor-gamma ligand binding domain complexed with 4-hydroxy-tamoxifen and a smrt peptide

• Total interactions analyzed: 36
• Total true interactions: 9
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 120
  • Norm. En. per Res.: -3.4702
• Hub Node: A(4)

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	0.0	10.9946	-8.9532	2.0414	11	0	0	701	0	8	16
A-D	-22.8764	-99.9542	-293.598	-416.4286	120	8	2	11991	8	50	46
A-E	0.0	3.7444	-158.092	-154.3476	76	9	6	7699	0	17	15
A-G	0.0	0.0	-90.7697	-90.7697	46	2	8	4957	0	6	5
B-D	-13.7692	10.0722	-171.389	-175.086	77	8	5	7761	0	16	14
B-E	-18.0831	-100.1683	-301.827	-420.0784	127	11	1	12369	9	51	41
B-H	0.0	0.0	-93.3121	-93.3121	44	1	7	4924	0	5	6
C-F	-29.5732	-96.6568	-286.264	-412.494	123	10	2	12256	8	52	44
C-I	-17.0013	0.0	-104.232	-121.2333	49	5	8	5246	0	6	5

Interface residues

• A-B: ASN347A, ASN347B, ASP344A, ASP344B, GLU334A, GLU334B, GLY341A, LEU343A, LEU343B, LYS338A, LYS338B
• A-D: ALA348A, ALA348D, ALA373A, ALA373D, ALA375A, ALA375D, ALA398A, ALA398D, ALA414A, ALA414D, ARG412A, ARG412D, ARG413A, ARG413D, ARG425A, ARG425D, ASN347A, ASN347D, ASN376A, ASN376D, ASN437D, ASP344A, ASP344D, ASP378A, ASP378D, ASP393A, ASP393D, ASP401A, ASP401D, ASP410A, ASP410D, GLN351A, GLN351D, GLN389A, GLN389D, GLN392A, GLN392D, GLN400A, GLN400D, GLN426A, GLN426D, GLN433A, GLN433D, GLU307A, GLU307D, GLU383A, GLU386A, GLU397A, GLU397D, GLY415A, GLY415D, HIS381A, HIS381D, HIS396A, HIS396D, ILE372A, ILE372D, ILE382A, ILE382D, LEU352A, LEU352D, LEU369A, LEU369D, LEU391A, LEU391D, LEU395A, LEU395D, LEU399A, LEU399D, LEU418A, LEU418D, LEU421A, LEU421D, LEU423A, LEU423D, LEU424A, LEU424D, LYS354A, LYS354D, LYS355A, LYS355D, LYS390A, LYS390D, LYS416A, LYS416D, LYS430A, LYS430D, MET359A, MET359D, MET380A, MET380D, MET417A, MET417D, MET419A, MET419D, PRO411A, PRO411D, PRO422A, PRO422D, SER303A, SER303D, SER358A, SER358D, SER377A, SER377D, SER379A, SER379D, THR420A, THR420D, THR427A, THR427D, THR429A, THR429D, VAL385A, VAL385D, VAL388A, VAL388D, VAL394A, VAL394D, VAL432D
• A-E: ALA283E, ALA295E, ALA304E, ALA340A, ARG274E, ASN437A, ASN437E, ASP259A, ASP261A, ASP273E, ASP296E, ASP335A, GLN297E, GLN302E, GLN336A, GLN433E, GLU275E, GLU383E, GLU441A, GLU441E, GLU452A, GLU455A, GLY281E, GLY341A, GLY442A, HIS381E, HIS447A, ILE262A, ILE279E, ILE280E, ILE382E, LEU276E, LEU294E, LEU300E, LEU301E, LEU309E, LEU339A, LEU374E, LEU440A, LEU440E, LEU449A, LEU451A, LEU454A, LYS263A, LYS284E, LYS338A, LYS439A, LYS439E, LYS443A, LYS448A, MET298E, MET306E, MET380E, MET446A, MET453A, PHE289E, PHE435E, PHE450A, PRO258A, SER260A, SER290E, SER293E, SER299E, SER303E, SER337A, SER379E, THR256A, TRP282E, TRP305E, TYR436A, TYR436E, VAL257A, VAL277E, VAL278E, VAL432E, VAL444A
• A-G: ALA1322G, ALA1327G, ALA272A, ALA283A, ALA295A, ALA304A, ARG1325G, ARG274A, ASP273A, ASP296A, CYS269A, GLN297A, GLN302A, GLU1321G, GLU275A, GLY1319G, GLY1330G, GLY281A, ILE1323G, ILE1324G, ILE279A, ILE280A, LEU1320G, LEU1328G, LEU276A, LEU294A, LEU300A, LEU301A, LEU309A, LYS1326G, LYS284A, LYS439A, MET1329G, MET298A, MET306A, PHE289A, PHE435A, SER290A, SER293A, SER299A, SER303A, TRP305A, TYR436A, VAL277A, VAL278A, VAL432A
• B-D: ALA272D, ALA283D, ALA295D, ALA304D, ALA340B, ARG274D, ASN437B, ASN437D, ASP259B, ASP261B, ASP273D, ASP296D, ASP335B, GLN297D, GLN302D, GLN336B, GLN433D, GLU275D, GLU383D, GLU441B, GLU452B, GLU455B, GLY281D, GLY341B, GLY442B, HIS381D, HIS447B, ILE262B, ILE279D, ILE280D, ILE308D, ILE382D, ILE438B, LEU276D, LEU292D, LEU294D, LEU300D, LEU301D, LEU309D, LEU339B, LEU374D, LEU440B, LEU440D, LEU449B, LEU451B, LEU454B, LYS263B, LYS284D, LYS338B, LYS439B, LYS439D, LYS443B, LYS448B, MET298D, MET306D, MET380D, MET446B, MET453B, PHE289D, PHE435D, PHE450B, PRO258B, PRO445B, SER260B, SER290D, SER293D, SER299D, SER303D, THR256B, TRP282D, TRP305D, TYR436D, VAL257B, VAL277D, VAL278D, VAL432D, VAL444B
• B-E: ALA348B, ALA348E, ALA373B, ALA373E, ALA375B, ALA375E, ALA398B, ALA398E, ALA414B, ALA414E, ARG412B, ARG412E, ARG413B, ARG413E, ARG425B, ARG425E, ASN346B, ASN347B, ASN347E, ASN376B, ASN376E, ASN437E, ASP344B, ASP344E, ASP378B, ASP378E, ASP393B, ASP393E, ASP401B, ASP401E, ASP410B, ASP410E, GLN351B, GLN351E, GLN389B, GLN389E, GLN392B, GLN392E, GLN400B, GLN400E, GLN426B, GLN426E, GLN433B, GLN433E, GLU307B, GLU307E, GLU383B, GLU386B, GLU386E, GLU397B, GLU397E, GLY415B, GLY415E, HIS381B, HIS381E, HIS396B, HIS396E, ILE349B, ILE372B, ILE372E, ILE382B, ILE382E, LEU343B, LEU345B, LEU350B, LEU352B, LEU352E, LEU369B, LEU369E, LEU391B, LEU391E, LEU395B, LEU395E, LEU399B, LEU399E, LEU418B, LEU418E, LEU421B, LEU421E, LEU423B, LEU423E, LEU424B, LEU424E, LYS354B, LYS354E, LYS355B, LYS355E, LYS390B, LYS390E, LYS416B, LYS416E, LYS430B, LYS430E, MET359B, MET359E, MET380B, MET380E, MET417B, MET417E, MET419B, MET419E, PRO411B, PRO411E, PRO422B, PRO422E, SER303B, SER303E, SER358B, SER358E, SER377B, SER377E, SER379B, SER379E, SER428B, SER428E, THR420B, THR420E, THR427B, THR427E, THR429B, THR429E, VAL385B, VAL385E, VAL388B, VAL388E, VAL394B, VAL394E
• B-H: ALA1322H, ALA1327H, ALA272B, ALA283B, ALA295B, ALA304B, ARG1325H, ARG274B, ASP273B, ASP296B, GLN297B, GLN302B, GLU1321H, GLY1319H, GLY1330H, GLY281B, ILE1323H, ILE1324H, ILE279B, ILE280B, LEU1320H, LEU1328H, LEU276B, LEU294B, LEU300B, LEU301B, LEU309B, LYS1326H, LYS284B, LYS439B, MET1329H, MET298B, MET306B, PHE289B, PHE435B, SER290B, SER293B, SER299B, SER303B, TRP305B, TYR436B, VAL277B, VAL278B, VAL432B
• C-F: ALA348C, ALA348F, ALA373C, ALA373F, ALA375C, ALA375F, ALA398C, ALA398F, ALA414C, ALA414F, ARG412C, ARG412F, ARG413C, ARG413F, ARG425C, ARG425F, ASN347C, ASN347F, ASN376C, ASN376F, ASN437C, ASN437F, ASP344C, ASP344F, ASP378C, ASP378F, ASP384C, ASP393C, ASP393F, ASP401C, ASP401F, ASP410C, ASP410F, GLN351C, GLN351F, GLN389C, GLN389F, GLN392C, GLN392F, GLN400C, GLN400F, GLN426C, GLN426F, GLN433C, GLN433F, GLU307C, GLU307F, GLU383C, GLU386C, GLU386F, GLU397C, GLU397F, GLY415C, GLY415F, HIS381C, HIS381F, HIS396C, HIS396F, ILE372C, ILE372F, ILE382C, ILE382F, LEU352C, LEU352F, LEU369C, LEU369F, LEU391C, LEU391F, LEU395C, LEU395F, LEU399C, LEU399F, LEU418C, LEU418F, LEU421C, LEU421F, LEU423C, LEU423F, LEU424C, LEU424F, LYS354C, LYS354F, LYS355C, LYS355F, LYS390C, LYS390F, LYS416C, LYS416F, LYS430C, LYS430F, MET359C, MET359F, MET380C, MET380F, MET417C, MET417F, MET419C, MET419F, PRO411C, PRO411F, PRO422C, PRO422F, SER303C, SER303F, SER358C, SER358F, SER377C, SER377F, SER379C, SER379F, THR420C, THR420F, THR427C, THR427F, THR429C, THR429F, TYR356C, VAL385C, VAL385F, VAL388F, VAL394C, VAL394F, VAL432C
• C-I: ALA1322I, ALA1327I, ALA272C, ALA283C, ALA295C, ALA304C, ARG1325I, ARG274C, ASP270C, ASP273C, ASP296C, CYS269C, GLN297C, GLN302C, GLU1321I, GLU275C, GLY1319I, GLY1330I, GLY281C, ILE1323I, ILE1324I, ILE279C, ILE280C, LEU1320I, LEU1328I, LEU276C, LEU294C, LEU300C, LEU301C, LEU309C, LEU374C, LYS1326I, LYS284C, LYS439C, MET1329I, MET298C, MET306C, PHE289C, PHE435C, SER290C, SER293C, SER299C, SER303C, TRP282C, TRP305C, TYR436C, VAL277C, VAL278C, VAL432C