3A9E

crystal structure of a mixed agonist-bound rar-alpha and antagonist- bound rxr-alpha heterodimer ligand binding domains

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: B-I
  • Int. Res.: 45
  • Norm. En. per Res.: -3.6404
• 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-B	-18.9889	-76.9394	-143.931	-239.8593	90	7	3	7822	8	53	38
B-I	-28.7117	-16.9824	-118.125	-163.8191	45	5	6	5705	1	16	10

Interface residues

• A-B: ALA311B, ALA389B, ALA396A, ALA403A, ALA421A, ALA429A, ARG339B, ARG353A, ARG364B, ARG370B, ARG385B, ARG398A, ARG419A, ARG426A, ARG431A, ASN382A, ASP338B, ASP346B, ASP349B, ASP352A, ASP364A, ASP383B, ASP384A, CYS333B, CYS336B, GLN315B, GLN340B, GLN352B, GLN416A, GLU312A, GLU353B, GLU357A, GLU357B, GLU393B, GLU395A, GLU399A, GLU406A, GLU439A, GLY337B, GLY418A, HIS372B, ILE332B, ILE335B, ILE378A, ILE381B, ILE387B, LEU308B, LEU329B, LEU342B, LEU356B, LEU359B, LEU375A, LEU378B, LEU384B, LEU405A, LEU423A, LEU424A, LEU425A, LEU427A, LEU430A, LEU435A, LYS360B, LYS361A, LYS376B, LYS380B, LYS386A, LYS390B, LYS400A, LYS410A, LYS422A, LYS436A, MET350B, MET373B, MET377B, MET379B, PHE374B, PHE420A, PRO345B, PRO371B, PRO375B, PRO383A, PRO417A, PRO428A, SER386B, SER432A, THR356A, THR382B, TYR178B, TYR402A, VAL379A
• B-I: ALA243B, ALA255B, ARG1477I, ASP1481I, ASP256B, CYS265B, GLN1480I, GLN257B, GLN411B, GLU241B, GLU412B, GLU415B, HIS1472I, HIS1476I, ILE1474I, ILE236B, ILE237B, ILE254B, ILE258B, ILE410B, LEU1475I, LEU1478I, LEU1479I, LEU260B, LEU261B, LEU334B, LEU409B, LEU414B, LYS1471I, LYS1473I, LYS234B, LYS238B, LYS244B, LYS262B, LYS399B, MET413B, PHE249B, PRO407B, PRO408B, THR233B, THR239B, THR250B, THR253B, THR259B, VAL240B