1U3Q

crystal structure of estrogen receptor beta complexed with cl-272

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 130
  • Norm. En. per Res.: -2.0415
• 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	0.0	-10.4428	-120.735	-131.1778	66	13	8	5897	2	18	16
A-C	-10.0219	68.8546	-338.119	-279.2863	139	16	8	13843	0	29	29
A-D	0.0	0.0	-43.9881	-43.9881	30	2	0	2075	0	14	8
B-C	-2.6664	11.6307	-23.3663	-14.402	25	12	0	1536	0	9	7
B-D	-25.2499	20.4477	-260.599	-265.4012	130	16	7	12109	0	20	22
C-D	0.0	0.0	-0.4241	-0.4241	6	0	0	95	0	4	3

Interface residues

• A-B: ALA313A, ALA313B, ALA497A, ALA497B, ARG329A, ARG329B, ASN496B, ASP326A, ASP326B, ASP421A, ASP421B, ASP489A, ASP489B, CYS334B, GLN327A, GLN327B, GLU321A, GLU321B, GLU332A, GLU332B, GLU493A, GLU493B, ILE310A, ILE310B, LEU306A, LEU306B, LEU322A, LEU322B, LEU324A, LEU324B, LEU330A, LEU330B, LEU331A, LEU331B, LEU405B, LEU490A, LEU490B, LEU492A, LEU492B, LYS314A, LYS314B, MET309A, MET309B, MET494A, MET494B, PHE319A, PHE319B, PHE325A, PHE325B, SER311B, SER323A, SER323B, SER333A, SER333B, SER422A, SER423A, SER423B, TRP335A, TRP335B, TYR411A, VAL307A, VAL307B, VAL320A, VAL320B, VAL328A, VAL328B
• A-C: ALA382A, ALA382C, ALA427A, ALA427C, ALA432A, ALA432C, ALA436A, ALA436C, ALA442A, ALA456A, ALA456C, ALA468A, ALA468C, ALA497A, ALA497C, ARG329A, ARG329C, ARG386A, ARG386C, ARG454A, ARG454C, ARG466A, ARG466C, ASN407A, ASN407C, ASN431A, ASN431C, ASN457A, ASN457C, ASN470A, ASN470C, ASP378A, ASP378C, ASP435A, ASP435C, CYS334C, GLN449A, GLN449C, GLN450A, GLN451A, GLN451C, GLU337A, GLU337C, GLU375A, GLU375C, GLU389A, GLU389C, GLU474A, GLU474C, HIS464A, HIS464C, HIS467A, HIS467C, ILE376A, ILE376C, ILE404A, ILE404C, ILE441A, ILE441C, LEU330A, LEU330C, LEU374A, LEU380A, LEU380C, LEU381A, LEU381C, LEU406A, LEU406C, LEU426A, LEU426C, LEU430A, LEU430C, LEU437A, LEU437C, LEU455A, LEU455C, LEU458A, LEU458C, LEU459A, LEU459C, LEU461A, LEU461C, LEU462A, LEU462C, LEU477A, LEU477C, LEU495A, LYS471A, LYS471C, MET344A, MET344C, MET379A, MET379C, MET403A, MET403C, MET410A, MET410C, MET453A, MET453C, MET460A, MET460C, MET473A, MET473C, PHE377A, PRO265A, PRO265C, SER333A, SER333C, SER385A, SER385C, SER408A, SER408C, SER409A, SER409C, SER423C, SER448A, SER448C, SER452A, SER452C, SER463A, SER463C, SER469A, SER469C, THR383A, THR383C, THR384C, THR434A, THR434C, TRP439A, TRP439C, TYR411A, TYR411C, VAL400A, VAL433A, VAL433C, VAL438A, VAL438C, VAL465A, VAL465C
• A-D: ARG364D, ASN483A, ASN496A, ASP363D, ASP365D, ASP378D, ASP489A, CYS369D, CYS481A, GLU366D, GLU371D, GLU375D, GLY352D, GLY367D, GLY372D, LEU374D, LEU381D, LEU477A, LEU492A, LYS368D, LYS480A, LYS482A, MET479A, PHE377D, PRO486A, TYR488A, VAL370D, VAL484A, VAL485A, VAL487A
• B-C: ARG364C, ASN478B, ASN483B, ASN496B, ASP363C, ASP365C, ASP378C, CYS481B, GLU366C, GLU375C, GLY352C, GLY367C, LEU362C, LEU374C, LEU381C, LEU477B, LEU492B, LYS353C, LYS368C, LYS480B, LYS482B, MET479B, PRO486B, VAL484B, VAL487B
• B-D: ALA382B, ALA382D, ALA427B, ALA427D, ALA432B, ALA432D, ALA436B, ALA436D, ALA442B, ALA442D, ALA456B, ALA456D, ALA468B, ALA468D, ARG329B, ARG386B, ARG386D, ARG388B, ARG424B, ARG454B, ARG454D, ARG466B, ARG466D, ASN407B, ASN407D, ASN431B, ASN431D, ASN457B, ASN457D, ASN470B, ASN470D, ASP378B, ASP378D, ASP435B, ASP435D, GLN449B, GLN449D, GLN450B, GLN450D, GLN451B, GLN451D, GLU337B, GLU337D, GLU389B, GLU389D, GLU474B, GLU474D, HIS428B, HIS464B, HIS464D, HIS467B, HIS467D, ILE404B, ILE404D, ILE441B, ILE441D, LEU330B, LEU330D, LEU380B, LEU380D, LEU381B, LEU381D, LEU390B, LEU390D, LEU406B, LEU406D, LEU426B, LEU426D, LEU430B, LEU430D, LEU437B, LEU437D, LEU455B, LEU455D, LEU458B, LEU458D, LEU459B, LEU459D, LEU461B, LEU461D, LEU462B, LEU462D, LYS471B, LYS471D, MET344B, MET344D, MET379B, MET379D, MET403B, MET403D, MET410B, MET410D, MET453B, MET453D, MET460B, MET460D, PHE387B, PRO265B, PRO265D, SER333B, SER333D, SER385B, SER385D, SER408B, SER408D, SER409B, SER409D, SER423D, SER448B, SER448D, SER452B, SER452D, SER463B, SER463D, THR383B, THR383D, THR384B, THR384D, THR434B, THR434D, TRP439B, TRP439D, TYR411D, VAL400B, VAL433B, VAL433D, VAL438B, VAL438D, VAL465B, VAL465D
• C-D: ASN478C, ASN478D, GLU371C, GLU371D, LYS482C, LYS482D