2JF9

estrogen receptor alpha lbd in complex with a tamoxifen- specific peptide antagonist

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: C-R
  • Int. Res.: 47
  • Norm. En. per Res.: -4.1435
• 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	-45.9454	63.8289	-448.894	-431.0105	143	16	12	17146	1	38	55
A-C	-52.9213	-55.2211	-111.452	-219.5944	55	13	0	4437	6	14	10
A-P	0.0	4.5581	-146.084	-141.5259	48	6	5	6049	0	9	9
A-R	-6.8602	0.6622	-26.0387	-32.2367	13	0	0	877	0	3	4
B-Q	-4.9196	-16.0541	-143.726	-164.6997	48	2	5	6040	1	9	10
C-P	0.0	8.9619	-25.0987	-16.1368	13	0	0	846	0	3	4
C-R	-19.5427	-22.7989	-152.401	-194.7426	47	4	5	6132	4	9	9

Interface residues

• A-B: ALA430A, ALA430B, ALA491A, ALA505A, ALA505B, ARG434A, ARG434B, ARG477A, ARG477B, ARG503A, ARG503B, ARG515A, ARG515B, ASN455A, ASN455B, ASN519A, ASN519B, ASP426A, ASP426B, ASP473A, ASP473B, ASP480A, ASP480B, ASP484A, ASP484B, CYS381A, CYS381B, GLN498A, GLN498B, GLN499A, GLN499B, GLN500A, GLN500B, GLN502A, GLN502B, GLN506A, GLN506B, GLU385A, GLU385B, GLU423B, GLU523A, GLU523B, GLY457A, GLY457B, GLY521B, HIS377A, HIS377B, HIS476A, HIS476B, HIS488B, HIS501A, HIS501B, HIS513A, HIS513B, HIS516A, HIS516B, ILE451A, ILE451B, ILE452A, ILE452B, ILE475B, ILE482A, ILE482B, ILE487A, ILE487B, ILE510A, ILE510B, ILE514A, ILE514B, LEU378A, LEU378B, LEU428A, LEU428B, LEU429A, LEU429B, LEU448A, LEU448B, LEU454A, LEU454B, LEU469B, LEU479A, LEU479B, LEU486A, LEU486B, LEU497A, LEU497B, LEU504A, LEU504B, LEU507A, LEU507B, LEU508A, LEU508B, LEU509A, LEU509B, LEU511A, LEU511B, LYS472A, LYS472B, LYS481A, LYS481B, LYS520A, LYS520B, MET427A, MET427B, MET437A, MET437B, MET438A, MET438B, MET517A, MET517B, MET522A, MET522B, PHE425B, PHE435A, PHE435B, SER432A, SER432B, SER433A, SER433B, SER456A, SER456B, SER512A, SER512B, SER518A, SER518B, SER527B, THR431A, THR431B, THR460A, THR460B, THR483A, THR483B, THR485A, THR485B, THR496A, TYR459A, TYR459B, TYR526A, TYR526B, VAL392A, VAL392B, VAL458A, VAL458B
• A-C: ALA405A, ALA405C, ARG352A, ARG352C, ASN348A, ASN348C, ASN359A, ASN359C, ASN407A, ASN407C, ASP332A, ASP332C, ASP351A, ASP351C, GLU323A, GLU323C, GLU330A, GLU330C, GLU353A, GLU353C, HIS356A, HIS356C, ILE326A, ILE326C, ILE358A, ILE358C, LEU327A, LEU327C, LEU345A, LEU349A, LEU349C, LEU354A, LEU354C, LEU372C, LYS362A, LYS362C, MET357A, PRO324A, PRO324C, PRO325A, PRO325C, PRO333A, PRO333C, PRO406A, PRO406C, SER329A, SER329C, THR334A, THR334C, TYR328A, TYR328C, TYR331A, TYR331C, VAL355A, VAL355C
• A-P: ALA350A, ALA361A, ALA382A, ARG352A, ARG5P, ASN348A, ASN359A, ASP10P, ASP351A, ASP374A, CYS381A, GLN375A, GLU353A, GLU380A, GLU6P, GLY3P, HIS356A, HIS373A, HIS377A, ILE358A, ILE386A, LEU12P, LEU354A, LEU372A, LEU378A, LEU379A, LEU384A, LEU387A, LEU453A, LYS362A, LYS9P, MET11P, MET357A, MET522A, PHE367A, PHE8P, PRO2P, SER13P, SER1P, SER4P, THR347A, THR371A, THR460A, TRP383A, TRP7P, VAL355A, VAL368A, VAL376A
• A-R: ARG335A, ASP10R, ASP332A, GLU330A, LEU12R, LYS9R, MET11R, PHE8R, PRO333A, SER13R, THR334A, TRP7R, TYR331A
• B-Q: ALA350B, ALA361B, ALA382B, ARG352B, ARG5Q, ASN348B, ASN359B, ASP10Q, ASP351B, ASP374B, CYS381B, GLN375B, GLU353B, GLU380B, GLU6Q, GLY3Q, HIS356B, HIS373B, HIS377B, ILE358B, ILE386B, LEU12Q, LEU354B, LEU370B, LEU372B, LEU378B, LEU379B, LEU384B, LEU387B, LEU453B, LYS362B, LYS9Q, MET11Q, MET357B, MET522B, PHE367B, PHE8Q, PRO2Q, SER13Q, SER1Q, SER4Q, THR347B, THR371B, TRP383B, TRP7Q, VAL355B, VAL368B, VAL376B
• C-P: ARG335C, ASP10P, ASP332C, GLU330C, LEU12P, LYS9P, MET11P, PHE8P, PRO333C, SER13P, THR334C, TRP7P, TYR331C
• C-R: ALA350C, ALA361C, ALA382C, ARG352C, ARG5R, ASN348C, ASN359C, ASP10R, ASP351C, ASP374C, CYS381C, GLN375C, GLU353C, GLU380C, GLU6R, GLY3R, HIS356C, HIS373C, HIS377C, ILE358C, ILE386C, LEU12R, LEU354C, LEU372C, LEU378C, LEU379C, LEU384C, LEU387C, LEU453C, LYS362C, LYS9R, MET11R, MET357C, MET522C, PHE367C, PHE8R, PRO2R, SER13R, SER1R, SER4R, THR347C, THR371C, TRP383C, TRP7R, VAL355C, VAL368C, VAL376C