3KFC

complex structure of lxr with an agonist

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 111
  • Norm. En. per Res.: -2.3464
• 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	-14.1607	-39.6934	-206.591	-260.4452	111	9	6	10055	0	36	27
A-D	0.0	0.0	-0.0024	-0.0024	2	0	0	1	0	0	3
B-D	0.0	0.0	-0.1816	-0.1816	2	0	0	31	0	0	0
C-D	-19.2058	-10.7569	-210.223	-240.1857	113	8	6	10123	1	38	24

Interface residues

• A-B: ALA306A, ALA359A, ALA359B, ALA381A, ALA381B, ALA394A, ALA394B, ALA402A, ALA402B, ARG362A, ARG362B, ARG383A, ARG383B, ARG408A, ARG408B, ARG417A, ARG417B, ARG420A, ARG420B, ARG429A, ARG429B, ASN377A, ASN377B, ASP382A, ASP382B, ASP414A, ASP414B, GLN224A, GLN396A, GLN396B, GLN397A, GLN397B, GLN415A, GLN415B, GLU310A, GLU310B, GLU355A, GLU355B, GLU393A, GLU393B, GLU401A, GLU401B, GLU437A, GLU437B, GLY390A, GLY390B, ILE376A, ILE376B, LEU363A, LEU363B, LEU373A, LEU373B, LEU403A, LEU403B, LEU404A, LEU404B, LEU416A, LEU416B, LEU422A, LEU422B, LEU425A, LEU425B, LEU428A, LEU428B, LEU431A, LEU431B, LYS424A, LYS424B, MET421A, MET421B, MET423A, MET423B, PHE356A, PHE356B, PHE379A, PHE418A, PHE418B, PHE440A, PHE440B, PRO352A, PRO352B, PRO384A, PRO384B, PRO389A, PRO389B, PRO398A, PRO398B, PRO419A, PRO419B, SER380A, SER380B, SER405A, SER405B, SER427A, SER427B, SER432A, SER432B, SER433A, SER433B, SER436A, SER436B, THR430A, THR430B, TYR399A, TYR399B, VAL400A, VAL400B, VAL426A, VAL426B, VAL434A, VAL434B
• A-D: GLU348A, PHE243D
• B-D: ARG443B, LEU254D
• C-D: ALA306C, ALA306D, ALA359C, ALA359D, ALA381C, ALA381D, ALA394C, ALA402C, ALA402D, ARG358D, ARG362C, ARG362D, ARG383C, ARG383D, ARG408C, ARG408D, ARG417C, ARG417D, ARG420C, ARG420D, ARG429C, ARG429D, ASN377C, ASN377D, ASN385C, ASP382C, ASP382D, ASP414C, ASP414D, GLN396C, GLN396D, GLN397C, GLN397D, GLN415C, GLN415D, GLU310C, GLU310D, GLU348D, GLU355C, GLU355D, GLU393C, GLU393D, GLU401C, GLU401D, GLU437C, GLU437D, GLY390C, GLY390D, ILE376C, ILE376D, LEU363C, LEU363D, LEU373C, LEU373D, LEU403C, LEU403D, LEU404C, LEU404D, LEU416C, LEU416D, LEU422C, LEU422D, LEU425C, LEU425D, LEU428C, LEU428D, LEU431C, LEU431D, LYS424C, LYS424D, MET421C, MET421D, MET423C, MET423D, PHE356C, PHE356D, PHE379C, PHE418C, PHE418D, PRO352C, PRO352D, PRO384C, PRO384D, PRO389C, PRO389D, PRO398C, PRO398D, PRO412D, PRO419C, PRO419D, SER380C, SER380D, SER405C, SER405D, SER427C, SER427D, SER432C, SER432D, SER433C, SER433D, SER436D, THR430C, THR430D, TYR399C, TYR399D, VAL386C, VAL386D, VAL400C, VAL400D, VAL426C, VAL426D, VAL434C, VAL434D