1XIU

crystal structure of the agonist-bound ligand-binding domain of biomphalaria glabrata rxr

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 110
  • Norm. En. per Res.: -3.4241
• 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	-49.6797	-94.948	-232.021	-376.6487	110	6	8	11120	14	54	46
A-E	0.0	7.9659	-97.9324	-89.9665	39	3	6	4619	1	11	8
B-F	-20.7626	-3.2375	-116.126	-140.1261	42	8	8	5353	0	16	6

Interface residues

• A-B: ALA354A, ALA354B, ALA372A, ALA372B, ALA390A, ALA390B, ALA398A, ALA398B, ARG322A, ARG322B, ARG367A, ARG367B, ARG388A, ARG388B, ARG395A, ARG395B, ARG400A, ARG400B, ASN209B, ASN351A, ASN351B, ASP321A, ASP321B, ASP333A, ASP353A, ASP353B, GLN361B, GLN365A, GLN365B, GLU281A, GLU281B, GLU326A, GLU326B, GLU364A, GLU364B, GLU368A, GLU368B, GLU375A, GLU375B, GLU385B, GLU408A, GLU408B, GLY387A, GLY387B, GLY403A, ILE319A, ILE319B, ILE402A, ILE402B, LEU324B, LEU327A, LEU327B, LEU344A, LEU344B, LEU357A, LEU357B, LEU374A, LEU374B, LEU392A, LEU392B, LEU393A, LEU393B, LEU394A, LEU394B, LEU396A, LEU396B, LEU399A, LEU399B, LEU404A, LEU404B, LYS330A, LYS330B, LYS355A, LYS355B, LYS379A, LYS379B, LYS391A, LYS391B, LYS405A, LYS405B, MET334A, MET334B, PHE350A, PHE350B, PHE389A, PHE389B, PRO352A, PRO352B, PRO386A, PRO386B, PRO397A, PRO397B, SER401A, SER401B, THR318A, THR318B, THR325A, THR325B, TYR371A, TYR371B, VAL323A, VAL323B, VAL347A, VAL347B, VAL348A, VAL348B, VAL360A, VAL360B, VAL370A, VAL370B
• A-E: ALA257A, ALA277A, ARG259A, ARG276A, ARG692E, ASP247A, ASP270A, GLN271A, GLN695E, GLU255A, GLU269A, GLU696E, GLY278A, GLY697E, HIS687E, HIS691E, ILE273A, ILE689E, LEU250A, LEU253A, LEU266A, LEU268A, LEU274A, LEU275A, LEU349A, LEU690E, LEU693E, LEU694E, LYS258A, PHE251A, PHE263A, PRO267A, SER698E, THR252A, THR264A, TRP256A, TRP279A, VAL254A, VAL272A
• B-F: ALA257B, ARG276B, ARG692F, ASN431B, ASP247B, ASP270B, ASP422B, GLN271B, GLN695F, GLU255B, GLU269B, GLU427B, GLU430B, GLU696F, GLY697F, HIS691F, ILE273B, ILE689F, LEU250B, LEU253B, LEU266B, LEU268B, LEU274B, LEU275B, LEU349B, LEU425B, LEU690F, LEU693F, LEU694F, LYS258B, LYS688F, MET426B, MET428B, PHE251B, PHE263B, PHE424B, THR252B, THR264B, THR423B, TRP279B, VAL254B, VAL272B