3HTA

crystal structure of multidrug binding protein ebrr complexed with imidazole

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 168
  • Norm. En. per Res.: -4.1156
• 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	-60.3123	-144.0006	-479.225	-683.538	171	29	21	20972	11	36	29
A-C	-37.057	-15.0644	-119.585	-171.7064	51	8	2	4731	1	19	10
A-D	-15.6531	-32.1426	-52.4171	-100.2128	34	2	2	2382	2	7	8
C-D	-75.3585	-153.8316	-462.234	-691.4242	168	32	24	20774	12	37	29

Interface residues

• A-B: ALA112A, ALA112B, ALA113A, ALA113B, ALA123A, ALA123B, ALA124A, ALA124B, ALA127A, ALA127B, ALA143A, ALA143B, ALA145A, ALA145B, ALA148A, ALA148B, ALA169A, ALA169B, ALA27A, ALA27B, ARG100A, ARG100B, ARG115A, ARG115B, ARG116A, ARG116B, ARG120A, ARG120B, ARG144A, ARG144B, ARG170B, ARG175A, ARG175B, ARG19A, ARG19B, ASP139A, ASP139B, ASP151A, ASP151B, ASP161A, ASP161B, ASP165A, ASP165B, CYS154A, CYS154B, GLN156A, GLN156B, GLN23A, GLN23B, GLU104A, GLU104B, GLU106A, GLU106B, GLU108A, GLU108B, GLU125A, GLU125B, GLU128A, GLU128B, GLU166B, GLU167A, GLU167B, GLU171A, GLU171B, GLY102A, GLY102B, GLY131B, GLY152A, GLY152B, GLY22A, GLY22B, GLY25A, GLY25B, GLY28A, GLY28B, ILE153A, ILE153B, ILE177A, ILE177B, ILE18A, ILE18B, ILE26A, ILE26B, LEU105A, LEU105B, LEU109A, LEU109B, LEU111A, LEU111B, LEU114A, LEU114B, LEU119A, LEU119B, LEU134A, LEU146A, LEU146B, LEU150A, LEU150B, LEU155A, LEU155B, LEU158A, LEU158B, LEU159A, LEU159B, LEU173A, LEU173B, LEU176A, LEU176B, LEU29A, LEU29B, LEU60A, LEU60B, LEU96A, LEU96B, LYS24A, LYS24B, PRO117A, PRO117B, PRO121A, PRO121B, PRO140A, PRO140B, PRO163A, PRO163B, PRO178A, PRO178B, THR101A, THR101B, THR138A, THR138B, THR141A, THR141B, THR142A, THR142B, THR160A, THR160B, THR162A, THR162B, THR174A, THR174B, TRP126A, TRP126B, TRP95A, TRP95B, TYR107A, TYR107B, TYR110A, TYR110B, TYR164A, TYR164B, TYR168A, TYR168B, VAL103A, VAL103B, VAL122A, VAL122B, VAL130A, VAL147A, VAL147B, VAL149A, VAL149B, VAL157A, VAL157B, VAL172A, VAL172B, VAL179A, VAL179B, VAL20A, VAL20B, VAL21A, VAL21B
• A-C: ALA118A, ALA181C, ALA35A, ALA50A, ALA82C, ARG115A, ARG116A, ARG170C, ARG175C, ARG32A, ARG4A, ASP165C, ASP53A, ASP54A, ASP83C, GLU166C, GLU167C, GLU171C, GLU81C, GLY43A, GLY86C, HIS31A, HIS48A, HIS5A, ILE177C, LEU173C, LEU176C, LEU42A, LEU52A, LEU55A, LEU84C, MET56A, PHE49A, PRO117A, PRO178C, PRO180C, PRO41A, PRO80C, SER30A, SER44A, SER85C, THR174C, THR182C, THR45A, THR46A, THR51A, TYR168C, TYR47A, VAL172C, VAL179C, VAL40A
• A-D: ALA16A, ALA181D, ALA35A, ALA36A, ALA38A, ARG12A, ARG175D, ARG183D, ARG19A, ARG32A, ASP184D, ASP39A, GLN23A, GLU171D, GLU37A, GLY28A, HIS31A, ILE177D, LEU176D, LEU42A, LYS24A, PRO178D, PRO180D, PRO41A, SER30A, THR141D, THR174D, THR182D, THR33A, VAL172D, VAL179D, VAL20A, VAL34A, VAL40A
• C-D: ALA112C, ALA112D, ALA113C, ALA113D, ALA118C, ALA118D, ALA123C, ALA123D, ALA124C, ALA124D, ALA127C, ALA127D, ALA143C, ALA143D, ALA145C, ALA145D, ALA148C, ALA148D, ALA169C, ALA169D, ALA27C, ALA27D, ARG100C, ARG100D, ARG115C, ARG115D, ARG116C, ARG116D, ARG120C, ARG120D, ARG144C, ARG144D, ARG175C, ARG175D, ARG19D, ASP139C, ASP139D, ASP151C, ASP151D, ASP161C, ASP161D, ASP165C, ASP165D, CYS154C, CYS154D, GLN156C, GLN156D, GLN23C, GLN23D, GLU104C, GLU104D, GLU106C, GLU106D, GLU108C, GLU108D, GLU125C, GLU125D, GLU128C, GLU128D, GLU167C, GLU167D, GLU171C, GLU171D, GLY102C, GLY102D, GLY131D, GLY152C, GLY152D, GLY22C, GLY22D, GLY25C, GLY25D, GLY28C, GLY28D, ILE153C, ILE153D, ILE177C, ILE177D, ILE18C, ILE18D, ILE26C, ILE26D, LEU105C, LEU105D, LEU109C, LEU109D, LEU111C, LEU111D, LEU114C, LEU114D, LEU119C, LEU119D, LEU134C, LEU146C, LEU146D, LEU150C, LEU150D, LEU155C, LEU155D, LEU158C, LEU158D, LEU159C, LEU159D, LEU173C, LEU173D, LEU176C, LEU176D, LEU29C, LEU29D, LEU52D, LEU60C, LEU60D, LEU96C, LYS24C, LYS24D, PRO117C, PRO117D, PRO121C, PRO121D, PRO140C, PRO140D, PRO163C, PRO163D, PRO178C, PRO178D, THR101C, THR101D, THR138C, THR138D, THR141C, THR141D, THR142C, THR142D, THR160C, THR160D, THR162C, THR162D, THR174C, THR174D, TRP126C, TRP126D, TRP95C, TRP95D, TYR107C, TYR107D, TYR110C, TYR110D, TYR164C, TYR164D, TYR168C, TYR168D, VAL103C, VAL103D, VAL122C, VAL122D, VAL147C, VAL147D, VAL149C, VAL149D, VAL157C, VAL157D, VAL172C, VAL172D, VAL179D, VAL20C, VAL20D, VAL21C, VAL21D