2GQQ

crystal structure of e. coli leucine-responsive regulatory protein (lrp)

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 180
  • Norm. En. per Res.: -4.9939
• 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	-233.26	6.1211	-671.766	-898.9049	180	50	43	25418	2	67	61
A-C	-2.4044	12.8692	-46.7173	-36.2525	42	3	0	2701	0	15	12
A-D	0.0	0.0	-54.4226	-54.4226	43	6	1	2681	0	10	13
B-C	0.0	13.6064	-6.2991	7.3073	10	0	0	362	0	2	6
B-D	0.0	0.0	-40.1514	-40.1514	40	0	0	2412	0	15	13
C-D	-232.0459	-3.2703	-733.734	-969.0502	195	46	46	29020	2	67	57

Interface residues

• A-B: ALA63A, ALA63B, ALA72A, ALA72B, ALA96A, ALA96B, ARG120A, ARG120B, ARG145A, ARG145B, ARG158A, ARG158B, ARG17A, ARG17B, ARG28A, ARG28B, ARG51A, ARG54A, ARG54B, ASN157A, ASN157B, ASN21A, ASN21B, ASN66A, ASN66B, ASN94A, ASN94B, ASP112A, ASP112B, ASP114A, ASP114B, ASP13A, ASP16A, ASP26A, ASP26B, ASP71A, ASP71B, CYS106A, CYS106B, GLN104A, GLN104B, GLN155A, GLN155B, GLN24A, GLN24B, GLN55A, GLN55B, GLN59A, GLN59B, GLN98A, GLN98B, GLU101A, GLU101B, GLU102A, GLU102B, GLU105A, GLU105B, GLU151A, GLU151B, GLU152A, GLU152B, GLU22A, GLU22B, GLU53A, GLU53B, GLU79A, GLU79B, GLU91A, GLU91B, GLY111A, GLY111B, GLY27A, GLY27B, GLY56A, GLY56B, GLY60A, GLY60B, HIS107A, HIS107B, HIS68A, HIS68B, ILE103A, ILE103B, ILE161A, ILE161B, ILE19A, ILE19B, ILE29A, ILE29B, ILE58A, ILE58B, LEU100A, LEU100B, LEU108A, LEU108B, LEU116A, LEU116B, LEU117A, LEU117B, LEU12A, LEU12B, LEU159A, LEU159B, LEU20A, LEU20B, LEU23A, LEU23B, LEU52A, LEU52B, LEU64A, LEU64B, LEU65A, LEU65B, LEU70A, LEU70B, LEU75A, LEU75B, LYS118A, LYS118B, LYS154A, LYS154B, LYS162A, LYS162B, LYS25A, LYS25B, LYS99B, MET150A, MET150B, PHE113A, PHE113B, PHE57A, PHE57B, PHE77A, PHE77B, PHE90A, PHE90B, PHE93A, PHE93B, PRO122A, PRO122B, PRO67A, PRO67B, SER110A, SER110B, SER156A, SER156B, SER30A, SER30B, THR146A, THR146B, THR62A, THR62B, THR95A, THR95B, TYR115A, TYR115B, TYR147A, TYR147B, TYR61A, TYR61B, TYR69A, TYR69B, VAL109A, VAL109B, VAL121B, VAL148A, VAL148B, VAL149A, VAL149B, VAL153A, VAL153B, VAL160A, VAL160B, VAL49A, VAL76A, VAL76B, VAL78A, VAL78B, VAL97A, VAL97B
• A-C: ALA86C, ARG128A, ARG137A, ARG145A, ARG84C, ASN142A, ASN142C, ASN83C, ASP112C, ASP114C, ASP143A, ASP88C, GLU133A, GLU91C, GLY111C, GLY132A, GLY140A, GLY85C, LEU108C, LEU131A, LEU135A, LEU136A, LEU138A, LEU82C, MET124A, PHE113C, PHE77A, PHE90C, PRO87C, SER110C, THR134A, THR144A, THR146A, THR81C, TYR127A, TYR147A, VAL109C, VAL141A, VAL148A, VAL76A, VAL78A, VAL89C
• A-D: ALA126D, ARG128A, ARG128D, ARG145A, ARG145D, ASP123A, ASP123D, GLU151A, GLU151D, GLU152A, LEU131A, LEU131D, LEU136A, LEU74A, LEU74D, LEU75A, LEU75D, LYS129A, LYS129D, MET124A, MET124D, MET150A, MET150D, SER125A, SER125D, SER73A, SER73D, THR144A, THR144D, THR146A, THR146D, TYR127A, TYR127D, TYR147A, TYR147D, VAL148A, VAL148D, VAL149A, VAL149D, VAL76A, VAL76D, VAL78A, VAL78D
• B-C: ASP112B, ASP112C, GLY111B, GLY111C, PHE113B, PHE113C, SER110B, SER110C, VAL109B, VAL109C
• B-D: ALA86B, ARG128D, ARG137D, ARG145D, ARG84B, ASN142D, ASN83B, ASP112B, ASP114B, ASP143D, ASP88B, GLU133D, GLU91B, GLY111B, GLY132D, GLY85B, LEU108B, LEU131D, LEU135D, LEU136D, LEU138D, LEU82B, MET124D, PHE113B, PHE77D, PHE90B, PRO87B, SER110B, THR134D, THR144D, THR146D, THR81B, TYR127D, TYR147D, VAL109B, VAL141D, VAL148D, VAL76D, VAL78D, VAL89B
• C-D: ALA63C, ALA63D, ALA72C, ALA72D, ALA96C, ALA96D, ARG120C, ARG120D, ARG145C, ARG145D, ARG158C, ARG158D, ARG17C, ARG17D, ARG28C, ARG28D, ARG50C, ARG54C, ARG54D, ASN157C, ASN157D, ASN21C, ASN21D, ASN31C, ASN31D, ASN66C, ASN66D, ASN94C, ASN94D, ASP112C, ASP112D, ASP114C, ASP114D, ASP16C, ASP16D, ASP26C, ASP26D, ASP71C, ASP71D, CYS106C, CYS106D, CYS45C, GLN104C, GLN104D, GLN155C, GLN155D, GLN24C, GLN24D, GLN55C, GLN55D, GLN59C, GLN59D, GLN92D, GLN98C, GLN98D, GLU101C, GLU101D, GLU102C, GLU102D, GLU105C, GLU105D, GLU151C, GLU151D, GLU152C, GLU152D, GLU22C, GLU22D, GLU33D, GLU53C, GLU53D, GLU79C, GLU79D, GLU91C, GLU91D, GLY111C, GLY111D, GLY27C, GLY27D, GLY56C, GLY56D, GLY60C, GLY60D, HIS107C, HIS107D, HIS68C, HIS68D, ILE103C, ILE103D, ILE161C, ILE161D, ILE19C, ILE19D, ILE29C, ILE29D, ILE58C, ILE58D, LEU100C, LEU100D, LEU108C, LEU108D, LEU116C, LEU116D, LEU117C, LEU117D, LEU12C, LEU12D, LEU159C, LEU159D, LEU20C, LEU20D, LEU23C, LEU23D, LEU34C, LEU34D, LEU46C, LEU46D, LEU52C, LEU52D, LEU64C, LEU64D, LEU65C, LEU65D, LEU70C, LEU70D, LEU75C, LEU75D, LYS10C, LYS118C, LYS118D, LYS154C, LYS154D, LYS162C, LYS162D, LYS25C, LYS25D, LYS99C, LYS99D, MET150C, MET150D, PHE113C, PHE113D, PHE57C, PHE57D, PHE77C, PHE77D, PHE90C, PHE90D, PHE93C, PHE93D, PRO122C, PRO122D, PRO67C, PRO67D, SER110C, SER110D, SER156C, SER156D, SER30C, SER30D, SER35C, THR146C, THR146D, THR62C, THR62D, THR95C, THR95D, TYR115C, TYR115D, TYR147C, TYR147D, TYR61C, TYR61D, TYR69C, TYR69D, VAL109C, VAL109D, VAL121C, VAL121D, VAL148C, VAL148D, VAL149C, VAL149D, VAL153C, VAL153D, VAL160C, VAL160D, VAL32C, VAL32D, VAL49C, VAL49D, VAL76C, VAL76D, VAL78C, VAL97C, VAL97D