1X78

crystal structure of estrogen receptor beta complexed with way-244

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 43
  • Norm. En. per Res.: -3.2915
• 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	-42.0227	48.5825	-272.218	-265.6581	132	31	7	12883	0	31	31
A-C	-16.9804	-16.0491	-108.505	-141.5345	43	11	9	5566	1	5	4
B-D	-21.2108	-6.347	-95.933	-123.4908	41	4	8	5146	0	4	1

Interface residues

• A-B: ALA382A, ALA382B, ALA427A, ALA427B, ALA432A, ALA432B, ALA436A, ALA436B, ALA442A, ALA442B, ALA456A, ALA456B, ALA468A, ALA468B, ARG329A, ARG329B, ARG386A, ARG386B, ARG424B, ARG454A, ARG454B, ARG466A, ARG466B, ASN407A, ASN407B, ASN431A, ASN431B, ASN457A, ASN457B, ASN470A, ASN470B, ASP378B, ASP435A, ASP435B, GLN449A, GLN449B, GLN450A, GLN450B, GLN451A, GLN451B, GLU337A, GLU337B, GLU375A, GLU375B, GLU389A, GLU389B, GLU474A, GLU474B, HIS464A, HIS464B, HIS467A, HIS467B, HIS498A, HIS498B, ILE376B, ILE404A, ILE404B, ILE441A, ILE441B, LEU380A, LEU380B, LEU390A, LEU390B, LEU406A, LEU406B, LEU426A, LEU426B, LEU430A, LEU430B, LEU437A, LEU437B, LEU455A, LEU455B, LEU458A, LEU458B, LEU459A, LEU459B, LEU461A, LEU461B, LEU462A, LEU462B, LEU477B, LEU500A, LEU500B, LYS471A, LYS471B, MET340B, MET379A, MET379B, MET403A, MET403B, MET410A, MET410B, MET453A, MET453B, MET460A, MET460B, MET473A, MET473B, PRO265A, PRO265B, SER333A, SER333B, SER408A, SER408B, SER409A, SER409B, SER423B, SER448A, SER448B, SER452A, SER452B, SER463A, SER463B, SER469A, SER469B, THR383A, THR383B, THR434A, THR434B, TRP439A, TRP439B, VAL400A, VAL400B, VAL433A, VAL433B, VAL438A, VAL438B, VAL465A, VAL465B, VAL499A, VAL499B
• A-C: ALA313A, ALA497A, ARG329A, ASP303A, ASP326A, ASP489A, GLN327A, GLN608C, GLU332A, GLU493A, HIS308A, ILE310A, LEU306A, LEU324A, LEU330A, LEU331A, LEU405A, LEU490A, LEU491A, LEU492A, LEU606C, LEU609C, LEU610C, LYS314A, LYS315A, LYS605C, MET309A, MET494A, PHE319A, PHE325A, SER311A, SER323A, SER333A, THR611C, THR612C, THR613C, TRP335A, TYR488A, VAL307A, VAL320A, VAL328A, VAL487A, VAL607C
• B-D: ALA313B, ALA497B, ARG329B, ASP303B, ASP326B, ASP489B, GLN327B, GLN608D, GLU332B, GLU493B, HIS308B, ILE310B, LEU306B, LEU324B, LEU330B, LEU331B, LEU405B, LEU490B, LEU491B, LEU492B, LEU606D, LEU609D, LEU610D, LYS314B, LYS605D, MET309B, MET494B, PHE319B, PHE325B, SER311B, SER323B, SER333B, THR611D, THR612D, THR613D, TRP335B, TYR488B, VAL307B, VAL320B, VAL328B, VAL607D