1TD5

crystal structure of the ligand binding domain of e. coli iclr.

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 23
  • Norm. En. per Res.: -1.8952
• Hub Node: A(3)

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	0.0	2.8728	-8.0514	-5.1786	18	0	0	439	0	4	10
A-C	0.0	3.2106	-53.5402	-50.3295	31	10	0	2330	4	15	20
A-D	-15.9104	7.8745	-75.8656	-83.9015	62	1	6	4004	0	7	18
B-C	-7.1439	7.6375	-74.6364	-74.1428	64	1	6	3999	0	6	18
B-D	0.0	-11.5367	-32.0534	-43.5901	23	3	0	1334	1	22	23

Interface residues

• A-B: ALA91A, ALA91B, GLU37B, GLY88B, HIS85B, HIS90A, HIS90B, HIS94A, LEU124A, LEU89A, LEU89B, LYS87B, PRO61B, THR93A, THR96A, TYR92A, TYR92B, VAL98A
• A-C: ARG152C, ARG157C, ARG16C, ARG51C, ARG86A, ASN17C, CYS46C, GLN45C, GLN79A, GLU20C, GLU21C, GLU24C, GLU77A, GLU78A, GLY23C, GLY88A, HIS48C, HIS85A, ILE14C, LEU18C, LEU49C, LEU83A, LEU84A, LYS167C, LYS82A, LYS87A, PRO13C, SER22C, THR25C, THR47C, THR81A
• A-D: ALA123A, ALA123D, ALA54A, ALA54D, ARG152A, ARG152D, ARG51A, ARG51D, ASN27A, ASP118A, ASP118D, CYS128A, GLN43A, GLN43D, GLN45A, GLN45D, GLU120A, GLU120D, GLY125A, GLY125D, GLY58A, GLY58D, HIS122A, HIS122D, HIS48A, HIS48D, HIS94A, HIS94D, ILE150A, ILE150D, ILE40A, ILE40D, LEU124A, LEU124D, LEU126A, LEU126D, LEU49A, LEU49D, LEU60A, LEU60D, LYS59A, LYS59D, PRO149A, PRO149D, PRO55A, PRO55D, PRO61A, PRO61D, SER147A, SER147D, SER151A, SER151D, SER53A, SER53D, SER65A, SER65D, THR154A, THR154D, THR25A, THR25D, THR47A, THR47D
• B-C: ALA123B, ALA123C, ALA54B, ALA54C, ARG152B, ARG152C, ARG51B, ARG51C, ASN27B, ASN27C, ASP118C, CYS128B, CYS128C, GLN43B, GLN43C, GLN45B, GLN45C, GLU120B, GLU120C, GLY125B, GLY125C, GLY148B, GLY148C, GLY58B, GLY58C, HIS122B, HIS122C, HIS48B, HIS48C, HIS94B, ILE150B, ILE150C, ILE40B, ILE40C, LEU124B, LEU124C, LEU126B, LEU126C, LEU49B, LEU49C, LEU60B, LEU60C, LYS59B, LYS59C, PRO149B, PRO149C, PRO55B, PRO55C, PRO61B, PRO61C, SER147B, SER147C, SER151B, SER151C, SER53B, SER53C, SER65B, SER65C, THR154B, THR154C, THR25B, THR25C, THR47B, THR47C
• B-D: ARG152D, ARG157D, ARG86B, ASP156D, GLN33B, GLU160D, GLU20D, GLU21D, GLU24D, GLU78B, GLY23D, HIS36B, HIS48D, HIS85B, LEU83B, LEU84B, LYS82B, LYS87B, PHE161D, SER22D, SER34B, THR154D, THR81B