3BUE

crystal structure of the c-terminal domain hexamer of argr from mycobacterium tuberculosis

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 49
  • Norm. En. per Res.: -3.2012
• Hub Node: A(4)

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	-16.9221	-43.0842	-93.8767	-153.8829	54	2	5	4440	3	7	9
A-C	-12.4359	-21.0656	-105.441	-138.9425	53	9	5	4776	3	7	9
A-E	0.0	33.0871	-3.3224	29.7647	9	0	0	190	0	2	4
A-F	-8.6827	-14.6021	-71.5556	-94.8403	40	0	3	2986	5	13	8
B-C	-8.3483	-34.613	-85.0555	-128.0169	50	2	5	4095	4	7	9
B-D	0.0	33.161	-3.5237	29.6374	9	0	0	207	0	4	4
B-E	-6.393	-1.7447	-77.1003	-85.238	41	1	3	3312	1	15	10
C-D	0.0	-3.3518	-62.3403	-65.6921	38	0	3	2837	3	13	9
C-F	0.0	32.7588	-2.8562	29.9026	9	0	0	181	0	2	5
D-E	-32.7087	-38.4982	-103.328	-174.535	56	4	5	4743	6	7	9
D-F	-23.6209	-36.7508	-94.1268	-154.4985	54	3	5	4471	3	7	9
E-F	-9.6847	-57.519	-89.6546	-156.8583	49	2	5	4270	3	7	9

Interface residues

• A-B: ALA115A, ALA124A, ALA128B, ALA135B, ALA144A, ALA144B, ALA153B, ALA160A, ARG118A, ARG133B, ARG154B, ASN113A, ASN113B, ASP109A, ASP110A, ASP132B, ASP146A, ASP147A, GLN138B, GLU155B, GLY112A, GLY112B, GLY141B, GLY145A, GLY145B, GLY159A, HIS125B, ILE143A, ILE143B, ILE149A, LEU114A, LEU114B, LEU117A, LEU150A, LEU150B, PRO137B, PRO156B, SER107A, SER111A, SER129B, THR108A, THR142A, THR142B, THR148A, THR157B, THR158A, THR158B, VAL116A, VAL139B, VAL140B, VAL151A, VAL151B, VAL152A, VAL152B
• A-C: ALA115C, ALA124C, ALA128A, ALA144A, ALA144C, ALA153A, ALA160C, ARG118C, ARG154A, ASN113A, ASN113C, ASP109C, ASP110C, ASP132A, ASP146C, ASP147C, GLN138A, GLU155A, GLY112A, GLY112C, GLY122C, GLY141A, GLY145A, GLY145C, GLY159C, HIS125A, HIS125C, ILE143A, ILE143C, ILE149C, LEU114A, LEU114C, LEU117C, LEU150A, LEU150C, PRO121C, PRO156A, SER111C, SER129A, THR108C, THR142A, THR142C, THR148C, THR157A, THR158A, THR158C, VAL116C, VAL139A, VAL140A, VAL151A, VAL151C, VAL152A, VAL152C
• A-E: ASP146A, ASP146E, ASP147A, ASP147E, GLY122A, GLY122E, HIS125E, PRO121A, PRO121E
• A-F: ALA123A, ALA123F, ALA124A, ALA124F, ALA128A, ALA128F, ALA130A, ALA130F, ARG133A, ARG133F, ARG96A, ARG96F, ARG99A, ARG99F, ASP146A, ASP146F, ASP147F, GLU103A, GLU103F, GLY122A, GLY122F, GLY145F, HIS125A, HIS125F, LEU100A, LEU100F, LEU104A, LEU104F, LEU127A, LEU127F, PRO120A, PRO120F, PRO121A, PRO121F, SER129A, SER129F, THR119A, THR119F, TYR126A, TYR126F
• B-C: ALA115B, ALA124B, ALA128C, ALA135C, ALA144B, ALA144C, ALA153C, ARG118B, ARG133C, ARG154C, ASN113B, ASN113C, ASP109B, ASP110B, ASP132C, ASP146B, ASP147B, GLN138C, GLU155C, GLY112B, GLY112C, GLY141C, GLY145B, GLY145C, GLY159B, HIS125B, HIS125C, ILE143B, ILE143C, ILE149B, LEU114B, LEU114C, LEU117B, LEU150B, LEU150C, SER111B, SER129C, THR108B, THR142B, THR142C, THR148B, THR157C, THR158C, VAL116B, VAL139C, VAL140C, VAL151B, VAL151C, VAL152B, VAL152C
• B-D: ASP146B, ASP146D, ASP147B, ASP147D, GLY122B, GLY122D, HIS125B, PRO121B, PRO121D
• B-E: ALA123B, ALA123E, ALA124B, ALA124E, ALA128B, ALA128E, ALA130B, ALA130E, ARG133B, ARG133E, ARG96B, ARG96E, ARG99B, ARG99E, ASP146B, ASP146E, ASP147E, GLU103B, GLU103E, GLY122B, GLY122E, GLY145B, GLY145E, HIS125B, HIS125E, LEU100B, LEU100E, LEU104B, LEU104E, LEU127B, LEU127E, PRO120B, PRO120E, PRO121B, PRO121E, SER129B, SER129E, THR119B, THR119E, TYR126B, TYR126E
• C-D: ALA123C, ALA123D, ALA124C, ALA124D, ALA128C, ALA128D, ALA130C, ALA130D, ARG133D, ARG96C, ARG96D, ARG99C, ARG99D, ASP146C, ASP146D, GLU103C, GLU103D, GLY122C, GLY122D, GLY145D, HIS125C, HIS125D, LEU100C, LEU100D, LEU104C, LEU104D, LEU127C, LEU127D, PRO120C, PRO120D, PRO121C, PRO121D, SER129C, SER129D, THR119C, THR119D, TYR126C, TYR126D
• C-F: ASP146C, ASP146F, ASP147C, ASP147F, GLY122C, GLY122F, HIS125C, PRO121C, PRO121F
• D-E: ALA115D, ALA124D, ALA128E, ALA135E, ALA144D, ALA144E, ALA153E, ALA160D, ALA163D, ARG118D, ARG133E, ARG154E, ASN113D, ASN113E, ASP109D, ASP110D, ASP132E, ASP146D, ASP147D, GLN138E, GLU155E, GLY112D, GLY141E, GLY145D, GLY145E, GLY159D, GLY159E, HIS125D, HIS125E, ILE143D, ILE143E, ILE149D, LEU114D, LEU114E, LEU117D, LEU150D, LEU150E, LEU162E, PRO121D, PRO156E, SER111D, SER129E, THR108D, THR142D, THR142E, THR148D, THR157E, THR158D, THR158E, VAL116D, VAL139E, VAL140E, VAL151D, VAL151E, VAL152D, VAL152E
• D-F: ALA115F, ALA124F, ALA135D, ALA144D, ALA144F, ALA153D, ALA160F, ARG118F, ARG133D, ARG154D, ASN113D, ASN113F, ASP109F, ASP110F, ASP132D, ASP146F, ASP147F, GLN138D, GLU155D, GLY112D, GLY112F, GLY141D, GLY145D, GLY145F, GLY159D, GLY159F, HIS125D, HIS125F, ILE143D, ILE143F, ILE149F, LEU114D, LEU114F, LEU117F, LEU150D, LEU150F, LEU162D, PRO156D, SER111F, SER129D, THR108F, THR142D, THR142F, THR148F, THR157D, THR158D, THR158F, VAL116F, VAL139D, VAL140D, VAL151D, VAL151F, VAL152D, VAL152F
• E-F: ALA115E, ALA124E, ALA135F, ALA144E, ALA144F, ALA153F, ARG118E, ARG133F, ARG154F, ASN113E, ASN113F, ASP109E, ASP110E, ASP132F, ASP146E, ASP147E, GLN138F, GLU155F, GLY112E, GLY141F, GLY145E, GLY145F, GLY159E, HIS125E, HIS125F, ILE143E, ILE143F, ILE149E, LEU114E, LEU114F, LEU117E, LEU150E, LEU150F, PRO156F, SER111E, SER129F, THR108E, THR142E, THR142F, THR148E, THR157F, THR158F, VAL116E, VAL139F, VAL140F, VAL151E, VAL151F, VAL152E, VAL152F