1QKU

wild type estrogen nuclear receptor ligand binding domain complexed with estradiol

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 175
  • Norm. En. per Res.: -2.124
• Hub Node: A(1)

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-C	0.0	1.3197	-21.2617	-19.942	26	0	0	1146	0	7	5
B-C	-15.5609	54.3815	-410.528	-371.7074	175	43	11	19243	1	60	79

Interface residues

• A-C: ALA318A, ALA322A, ALA340C, ARG335C, ARG363A, ASP313A, ASP321A, ASP332C, CYS417C, GLN314A, GLU339C, LEU306A, LEU310A, LEU319A, LEU320A, MET315A, PHE337C, PRO333C, PRO336C, PRO365A, SER317A, SER338C, SER341C, THR311A, THR334C, VAL316A
• B-C: ALA312B, ALA312C, ALA430B, ALA430C, ALA491B, ALA491C, ALA505B, ALA505C, ARG412B, ARG412C, ARG434B, ARG434C, ARG436B, ARG436C, ARG477B, ARG477C, ARG503B, ARG503C, ARG515B, ARG515C, ARG548B, ARG548C, ASN455B, ASN455C, ASN519B, ASN519C, ASP426B, ASP426C, ASP473B, ASP473C, ASP480B, ASP480C, ASP484B, ASP484C, CYS381B, CYS381C, CYS530C, GLN498B, GLN498C, GLN499B, GLN499C, GLN500B, GLN500C, GLN502B, GLN502C, GLN506B, GLN506C, GLU385B, GLU385C, GLU419B, GLU423B, GLU423C, GLU523B, GLU523C, GLY420B, GLY457B, GLY457C, GLY521B, GLY521C, HIS377B, HIS377C, HIS476B, HIS476C, HIS488B, HIS488C, HIS501B, HIS501C, HIS513B, HIS513C, HIS516B, HIS516C, HIS524B, HIS524C, HIS547B, HIS547C, HIS550B, HIS550C, ILE424B, ILE424C, ILE451B, ILE451C, ILE452B, ILE452C, ILE475B, ILE475C, ILE482B, ILE482C, ILE487B, ILE487C, ILE510B, ILE510C, ILE514B, ILE514C, LEU428B, LEU428C, LEU429B, LEU429C, LEU448B, LEU448C, LEU454B, LEU454C, LEU469B, LEU469C, LEU479B, LEU479C, LEU486B, LEU486C, LEU497B, LEU497C, LEU504B, LEU504C, LEU507B, LEU507C, LEU508B, LEU508C, LEU509B, LEU509C, LEU511B, LEU511C, LEU525C, LEU549B, LEU549C, LYS472B, LYS472C, LYS481B, LYS481C, LYS520B, LYS520C, MET427B, MET427C, MET437B, MET437C, MET438B, MET438C, MET490B, MET490C, MET517B, MET517C, MET522B, MET522C, MET528B, MET528C, PHE435B, PHE435C, PHE461B, PHE461C, SER432C, SER433B, SER433C, SER456B, SER456C, SER464B, SER464C, SER512B, SER512C, SER518B, SER518C, SER527B, SER527C, THR431B, THR431C, THR460B, THR460C, THR483B, THR483C, THR485B, THR485C, THR496C, TYR459B, TYR459C, TYR526C, VAL458B, VAL458C, VAL478B, VAL478C