1R5K

human estrogen receptor alpha ligand-binding domain in complex with gw5638

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 108
  • Norm. En. per Res.: -2.5589
• 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	-31.8306	62.5621	-370.682	-339.9505	144	11	10	15807	1	39	54
A-C	-11.6787	-3.33	-261.349	-276.3577	108	9	9	12005	0	27	26

Interface residues

• A-B: ALA430A, ALA430B, ALA491A, ALA491B, ALA505A, ALA505B, 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, GLY457A, GLY457B, GLY521A, HIS377A, HIS377B, 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, LEU428A, 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, PHE435A, PHE435B, PHE461A, PHE461B, SER433A, SER433B, SER456A, SER456B, SER463B, SER512A, SER512B, SER518A, SER518B, THR431A, THR431B, THR460A, THR460B, THR483A, THR483B, THR485A, THR485B, THR496A, TYR459A, TYR459B, TYR526A, TYR526B, VAL458A, VAL458B
• A-C: ALA340A, ALA340C, ALA350A, ALA350C, ALA405A, ALA405C, ARG352A, ARG352C, ASN348A, ASN348C, ASN359A, ASN359C, ASN407A, ASN407C, ASN532A, ASN532C, ASP332A, ASP332C, ASP351A, ASP351C, ASP538A, ASP538C, CYS530A, CYS530C, GLU330A, GLU330C, GLU339A, GLU339C, GLU353A, GLU353C, GLU542A, GLU542C, GLY344A, GLY344C, HIS356A, HIS356C, HIS524C, ILE326A, ILE326C, ILE358A, ILE358C, LEU327A, LEU327C, LEU345A, LEU345C, LEU346C, LEU349A, LEU349C, LEU354A, LEU354C, LEU372A, LEU525A, LEU525C, LEU536A, LEU536C, LEU539A, LEU539C, LEU540A, LEU540C, LEU541A, LEU541C, LEU544A, LEU544C, LYS362A, LYS362C, LYS529A, LYS529C, LYS531A, LYS531C, MET342A, MET342C, MET343A, MET343C, MET357A, MET357C, MET528A, MET528C, MET543A, MET543C, PHE337A, PHE337C, PRO325A, PRO325C, PRO406A, PRO406C, PRO535A, PRO535C, SER329A, SER329C, SER338A, SER338C, SER341A, SER341C, SER527C, THR347A, THR347C, TYR328A, TYR328C, TYR331A, TYR331C, TYR537A, TYR537C, VAL355A, VAL355C, VAL533A, VAL533C, VAL534A, VAL534C