2JFA

estrogen receptor alpha lbd in complex with an affinity- selected corepressor peptide

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-Q
  • Int. Res.: 44
  • Norm. En. per Res.: -3.4283
• 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	-55.8616	69.1286	-325.628	-312.361	147	15	13	15076	1	43	55
A-P	-12.1109	-23.4989	-118.316	-153.9259	48	4	8	5652	2	11	9
B-Q	-18.2209	-22.4613	-110.162	-150.8442	44	4	8	5565	2	7	8

Interface residues

• A-B: ALA430A, ALA430B, ALA505A, ALA505B, ARG412A, ARG412B, 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, GLU423A, GLU423B, GLU523A, GLU523B, GLY400A, GLY400B, GLY457A, GLY457B, GLY521B, HIS377B, HIS476A, HIS476B, HIS488A, HIS488B, HIS501A, HIS501B, HIS513A, HIS513B, HIS516A, HIS516B, ILE424A, ILE424B, ILE451A, ILE451B, ILE452A, ILE452B, ILE475A, ILE475B, ILE482A, ILE482B, ILE487A, ILE487B, ILE510A, ILE510B, ILE514A, ILE514B, LEU428A, LEU429A, LEU429B, LEU448A, LEU448B, LEU454A, LEU454B, LEU462A, LEU462B, LEU469A, 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, PHE461A, PHE461B, SER433A, SER433B, SER456A, SER456B, SER463A, SER463B, SER464A, SER464B, SER512A, SER512B, SER518A, SER518B, THR431A, THR431B, THR460A, THR460B, THR483A, THR483B, THR485A, THR485B, TYR459A, TYR459B, TYR526A, TYR526B, VAL458A, VAL458B
• A-P: ALA2P, ALA350A, ALA361A, ALA382A, ARG11P, ARG352A, ARG363A, ARG6P, ASN359A, ASP15P, ASP1P, ASP351A, ASP374A, CYS381A, GLN14P, GLN375A, GLN4P, GLN7P, GLU380A, GLY12P, HIS373A, HIS377A, ILE358A, ILE9P, LEU10P, LEU13P, LEU354A, LEU372A, LEU378A, LEU379A, LEU384A, LEU453A, LEU525A, LEU5P, LEU8P, LYS362A, LYS529A, MET357A, MET522A, PHE367A, PHE3P, THR347A, THR371A, TRP383A, TYR526A, VAL355A, VAL368A, VAL376A
• B-Q: ALA2Q, ALA350B, ALA361B, ALA382B, ARG11Q, ARG352B, ARG6Q, ASN359B, ASP15Q, ASP1Q, ASP351B, ASP374B, CYS381B, GLN14Q, GLN375B, GLN4Q, GLN7Q, GLU380B, GLY12Q, HIS373B, HIS377B, ILE358B, ILE9Q, LEU10Q, LEU13Q, LEU354B, LEU372B, LEU378B, LEU379B, LEU384B, LEU453B, LEU5Q, LEU8Q, LYS362B, MET357B, MET522B, PHE367B, PHE3Q, THR371B, TRP383B, TYR526B, VAL355B, VAL368B, VAL376B