1P8D

x-ray crystal structure of lxr ligand binding domain with 24(s),25- epoxycholesterol

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 48
  • Norm. En. per Res.: -4.433
• 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	-23.7532	-55.7371	-199.284	-278.7744	117	16	6	10335	1	40	27
A-C	-26.0311	6.836	-169.712	-188.9071	58	26	8	8749	0	27	23
B-D	-45.3132	-10.9568	-156.516	-212.786	48	20	7	7180	1	20	14

Interface residues

• A-B: ALA306A, ALA359A, ALA359B, ALA381A, ALA381B, ALA394A, ALA394B, ALA402A, ALA402B, ARG358A, ARG362A, ARG362B, ARG383A, ARG383B, ARG408A, ARG408B, ARG417A, ARG417B, ARG420A, ARG420B, ARG429A, ARG429B, ARG443B, ASN377A, ASN377B, ASN385A, ASP382A, ASP382B, ASP414A, ASP414B, GLN224A, GLN224B, GLN396A, GLN396B, GLN397A, GLN397B, GLN415A, GLN415B, GLU310A, GLU310B, GLU355A, GLU355B, GLU393A, GLU393B, GLU401A, GLU401B, GLU437A, GLU437B, GLY390A, GLY390B, ILE376A, ILE376B, LEU363A, LEU363B, LEU403A, LEU403B, LEU404A, LEU404B, LEU416A, LEU416B, LEU422A, LEU422B, LEU425A, LEU425B, LEU428A, LEU428B, LEU431A, LEU431B, LYS424A, LYS424B, MET421A, MET421B, MET423A, MET423B, PHE356A, PHE356B, PHE379A, PHE379B, PHE418A, PHE418B, PHE440A, PHE440B, PRO352A, PRO352B, PRO384A, PRO384B, PRO389A, PRO389B, PRO398A, PRO398B, PRO412B, PRO419A, PRO419B, SER380A, SER380B, SER405A, SER405B, SER427A, SER427B, SER432A, SER432B, SER433A, SER433B, SER436A, SER436B, THR430A, THR430B, TYR399A, TYR399B, VAL218A, VAL400A, VAL400B, VAL426A, VAL426B, VAL434A, VAL434B, VAL459A
• A-C: ALA286A, ALA302A, ALA306A, ARG1C, ARG241A, ARG297A, ARG7C, ASN385A, ASP284A, ASP299A, ASP458A, GLN10C, GLN280A, GLN300A, GLN387A, GLU0C, GLU11C, GLU281A, GLU298A, GLU455A, GLU461A, GLY12C, GLY296A, HIS2C, HIS460A, HIS6C, ILE276A, ILE277A, ILE282A, ILE301A, ILE456A, ILE4C, LEU-2C, LEU293A, LEU303A, LEU304A, LEU452A, LEU453A, LEU5C, LEU8C, LEU9C, LYS287A, LYS305A, LYS3C, PHE292A, PRO384A, PRO450A, PRO451A, SER-3C, SER278A, SER454A, THR-1C, THR308A, TRP457A, VAL279A, VAL283A, VAL386A, VAL459A
• B-D: ALA286B, ALA302B, ALA306B, ARG1D, ARG241B, ARG297B, ARG7D, ASP284B, ASP299B, GLN10D, GLN280B, GLN300B, GLU11D, GLU281B, GLU298B, GLU455B, GLY12D, GLY296B, HIS2D, HIS6D, ILE276B, ILE277B, ILE282B, ILE301B, ILE456B, ILE4D, LEU293B, LEU303B, LEU304B, LEU452B, LEU453B, LEU5D, LEU8D, LEU9D, LYS287B, LYS305B, LYS3D, PHE292B, PRO450B, PRO451B, SER13D, SER242B, SER454B, THR308B, TRP457B, VAL279B, VAL283B, VAL459B