2BJ4

estrogen receptor alpha lbd in complex with a phage-display derived peptide antagonist

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 59
  • Norm. En. per Res.: -5.0364
• 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	-40.4336	62.0587	-372.704	-351.0789	136	14	10	16046	1	38	53
A-C	-49.6835	0.0	-226.889	-276.5725	60	11	3	7553	0	7	7
B-D	-62.5746	-6.88	-227.694	-297.1486	59	11	3	7709	0	7	7

Interface residues

• A-B: ALA430A, ALA430B, 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, GLU423A, GLU423B, GLU523A, GLU523B, GLY457B, GLY521A, HIS476A, HIS476B, HIS488A, HIS488B, HIS501A, HIS501B, HIS513A, HIS513B, HIS516A, HIS516B, ILE424A, ILE451A, ILE451B, ILE452A, ILE452B, ILE475A, ILE475B, ILE482A, ILE482B, ILE487A, ILE487B, ILE510A, ILE510B, ILE514A, ILE514B, LEU308B, LEU428A, LEU429A, LEU448A, LEU448B, LEU454A, LEU454B, 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, PHE435A, PHE435B, PHE461A, SER432A, SER433A, SER433B, SER456A, SER456B, SER512A, SER512B, SER518A, SER518B, THR431A, THR431B, THR460A, THR460B, THR483A, THR483B, THR485A, THR485B, TYR459A, TYR459B, TYR526A, TYR526B, VAL458A, VAL458B
• A-C: ALA11C, ALA322A, ALA405A, ALA491A, ALA493A, ARG394A, ARG4C, ARG503A, ASN407A, ASN439A, ASP321A, ASP5C, CYS447A, GLN441A, GLN500A, GLU323A, GLU397A, GLU443A, GLU444A, GLY390A, GLY442A, GLY494A, GLY7C, HIS398A, HIS488A, ILE326A, ILE487A, LEU1C, LEU319A, LEU320A, LEU327A, LEU403A, LEU409A, LEU440A, LEU486A, LEU489A, LEU495A, LEU507A, LYS449A, LYS492A, MET396A, MET438A, MET490A, PHE445A, PHE6C, PRO324A, PRO325A, PRO406A, SER317A, SER395A, SER3C, SER8C, THR2C, THR485A, TRP393A, TRP9C, TYR10C, TYR328A, VAL316A, VAL446A
• B-D: ALA11D, ALA318B, ALA322B, ALA405B, ALA491B, ALA493B, ARG394B, ARG4D, ARG503B, ASN407B, ASN439B, ASP321B, ASP5D, CYS447B, GLN441B, GLU323B, GLU397B, GLU443B, GLU444B, GLY390B, GLY442B, GLY494B, GLY7D, HIS398B, ILE326B, LEU1D, LEU319B, LEU320B, LEU327B, LEU403B, LEU409B, LEU440B, LEU486B, LEU489B, LEU495B, LEU507B, LYS449B, LYS492B, MET396B, MET438B, MET490B, PHE445B, PHE6D, PRO324B, PRO325B, PRO406B, SER317B, SER395B, SER3D, SER8D, THR2D, THR485B, TRP393B, TRP9D, TYR10D, TYR328B, VAL316B, VAL392B, VAL446B