3FHZ

crystal structure of the arginine repressor from mycobacterium tuberculosis bound with its dna operator and co-repressor, l-arginine

• Total interactions analyzed: 66
• Total true interactions: 15
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 55
  • Norm. En. per Res.: -3.4973
• Hub Node: A(5)

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	-9.6193	-25.4854	-163.834	-198.9388	68	11	5	6705	4	12	14
A-C	-13.3405	-53.1856	-109.71	-176.2361	54	4	5	4763	6	8	9
A-D	-33.2884	-27.9355	-267.481	-328.7049	119	17	14	11473	4	29	27
A-E	0.0	19.1283	-1.523	17.6052	6	0	0	91	0	2	4
A-F	0.0	29.4709	-84.2736	-54.8027	54	2	3	4052	0	16	13
B-C	-19.058	-37.0143	-156.601	-212.6734	66	9	5	6628	5	12	14
B-D	0.0	20.5323	-2.0351	18.4972	6	0	0	118	0	2	4
B-E	-24.9215	55.4569	-182.181	-151.6456	82	9	9	7573	0	21	25
B-F	-38.7687	-25.7766	-260.953	-325.4983	112	18	13	11141	4	27	26
C-D	-57.4146	75.073	-279.569	-261.9106	114	7	15	10815	0	25	39
C-E	-48.7869	-32.6116	-255.084	-336.4825	113	12	13	11008	4	28	27
C-F	0.0	20.2901	-1.9114	18.3787	6	0	0	115	0	2	4
D-E	-23.3512	-54.1786	-114.824	-192.3538	55	4	5	4827	6	8	9
D-F	-9.6062	-28.1334	-160.033	-197.7726	66	10	5	6655	4	12	14
E-F	-7.515	-38.2356	-96.5804	-142.3311	50	2	5	4444	3	8	9

Interface residues

• A-B: ALA115A, ALA124A, ALA128B, ALA135B, ALA144A, ALA144B, ALA153B, ALA160A, ALA163A, ARG118A, ARG133B, ARG154B, ARG170A, ARG88B, ASN113A, ASN113B, ASP109A, ASP110A, ASP132B, ASP146A, ASP147A, ASP83B, GLN138B, GLU155B, GLU82B, GLY112A, GLY122A, GLY141B, GLY145A, GLY145B, GLY159A, GLY84B, HIS125A, HIS125B, ILE131B, ILE143A, ILE143B, ILE149A, LEU114A, LEU114B, LEU117A, LEU150A, LEU150B, PRO120A, PRO121A, PRO156B, PRO81B, PRO86B, SER107A, SER111A, SER129B, SER85B, THR108A, THR119A, THR142A, THR142B, THR148A, THR157B, THR158B, VAL106A, VAL116A, VAL139B, VAL140B, VAL151A, VAL151B, VAL152A, VAL152B, VAL87B
• A-C: ALA115C, ALA124C, ALA128A, ALA135A, ALA144A, ALA144C, ALA153A, ALA160C, ARG118C, ARG133A, ARG154A, ASN113A, ASN113C, ASP109C, ASP110C, ASP132A, ASP146C, ASP147C, GLN138A, GLU155A, GLY112C, GLY141A, GLY145A, GLY145C, GLY159C, HIS125A, HIS125C, ILE131A, ILE143A, ILE143C, ILE149C, LEU114A, LEU114C, LEU117C, LEU150A, LEU150C, PRO121C, PRO156A, SER107C, SER111C, SER129A, THR108C, THR142A, THR142C, THR148C, THR157A, THR158A, VAL116C, VAL139A, VAL140A, VAL151A, VAL151C, VAL152A, VAL152C
• A-D: ALA10D, ALA130D, ALA134A, ALA134D, ALA135A, ALA135D, ALA27D, ALA65A, ALA65D, ALA6D, ALA71A, ALA71D, ALA7D, ALA98D, ARG133A, ARG133D, ARG154A, ARG18D, ARG24D, ARG58A, ARG58D, ARG69A, ARG69D, ARG88A, ARG88D, ARG96A, ARG96D, ARG99D, ASP132D, ASP59A, ASP59D, ASP72A, ASP72D, ASP83A, ASP83D, ASP95D, GLN138A, GLN33A, GLN37A, GLN37D, GLU13D, GLU61A, GLU61D, GLU62A, GLU62D, GLU82A, GLU82D, GLY11D, GLY141A, GLY64A, GLY64D, GLY70A, GLY70D, GLY73A, GLY73D, GLY74A, GLY74D, GLY76A, GLY76D, GLY84A, GLY84D, GLY89A, GLY89D, GLY92A, GLY92D, GLY93A, GLY93D, ILE131D, ILE77A, LEU136A, LEU29D, LEU56A, LEU56D, LEU60A, LEU60D, LEU63A, LEU63D, LEU68A, LEU68D, LYS5D, LYS67A, LYS67D, MET97D, PRO12D, PRO137A, PRO81A, PRO81D, PRO86A, PRO86D, PRO8D, SER129A, SER129D, SER30D, SER31D, SER57A, SER57D, SER85A, SER85D, SER91A, SER91D, THR75A, THR75D, THR94D, TYR126A, TYR78A, TYR78D, VAL139A, VAL140A, VAL26D, VAL66A, VAL66D, VAL79A, VAL79D, VAL80D, VAL87A, VAL87D, VAL90A, VAL90D, VAL9D
• A-E: ASP146A, ASP146E, GLY122A, GLY122E, PRO121A, PRO121E
• A-F: ALA123A, ALA123F, ALA124A, ALA124F, ALA128A, ALA128F, ALA130A, ALA130F, ALA144A, ALA144F, ARG133A, ARG133F, ARG88A, ARG88F, ARG96A, ARG96F, ARG99A, ARG99F, ASP146A, ASP146F, GLU103A, GLU103F, GLY122A, GLY122F, GLY145A, GLY145F, HIS125A, HIS125F, LEU100A, LEU100F, LEU104A, LEU104F, LEU105A, LEU105F, LEU127A, LEU127F, PRO120A, PRO120F, PRO121A, PRO121F, SER107A, SER107F, SER129A, SER129F, SER91A, SER91F, THR119A, THR119F, TYR126A, TYR126F, VAL106A, VAL106F, VAL90A, VAL90F
• B-C: ALA115B, ALA124B, ALA128C, ALA135C, ALA144B, ALA144C, ALA153C, ALA160B, ALA163B, ARG118B, ARG133C, ARG154C, ARG88C, ASN113B, ASN113C, ASP109B, ASP110B, ASP132C, ASP146B, ASP147B, ASP83C, GLN138C, GLU155C, GLU82C, GLY112B, GLY122B, GLY141C, GLY145B, GLY145C, GLY159B, GLY84C, HIS125B, HIS125C, ILE131C, ILE143B, ILE143C, ILE149B, LEU105B, LEU114B, LEU114C, LEU117B, LEU150B, LEU150C, LEU162C, PRO120B, PRO121B, PRO86C, SER107B, SER111B, SER129C, SER85C, THR108B, THR119B, THR142B, THR142C, THR148B, THR157C, THR158C, VAL106B, VAL116B, VAL139C, VAL140C, VAL151B, VAL151C, VAL152B, VAL152C
• B-D: ASP146B, ASP146D, GLY122B, GLY122D, PRO121B, PRO121D
• B-E: ALA10B, ALA123B, ALA123E, ALA124B, ALA124E, ALA128B, ALA128E, ALA130B, ALA130E, ALA144E, ALA15B, ALA163E, ALA16B, ALA19B, ALA23B, ALA27B, ARG118E, ARG133B, ARG133E, ARG170E, ARG18B, ARG21B, ARG24B, ARG88E, ARG96B, ARG96E, ARG99B, ARG99E, ASN168E, ASN17B, ASP109E, ASP110E, ASP146B, ASP146E, ASP147E, ASP83B, GLN22B, GLU103B, GLU103E, GLU13B, GLU167E, GLY102E, GLY11B, GLY122B, GLY122E, GLY145B, GLY145E, GLY164E, GLY20B, HIS125B, HIS125E, ILE25B, LEU100B, LEU100E, LEU101E, LEU104B, LEU104E, LEU105B, LEU105E, LEU127B, LEU127E, PRO120B, PRO120E, PRO121B, PRO121E, PRO12B, SER107B, SER107E, SER129B, SER129E, SER91E, THR108E, THR119B, THR119E, TYR126B, TYR126E, VAL106B, VAL106E, VAL116E, VAL14B, VAL26B, VAL90E
• B-F: ALA10B, ALA130B, ALA134B, ALA134F, ALA135B, ALA135F, ALA27B, ALA65B, ALA65F, ALA71B, ALA71F, ALA98B, ARG133B, ARG133F, ARG154F, ARG24B, ARG58B, ARG58F, ARG69B, ARG69F, ARG88B, ARG88F, ARG96B, ARG96F, ARG99B, ASP132B, ASP59B, ASP59F, ASP72B, ASP72F, ASP83B, ASP83F, ASP95B, GLN33F, GLN37B, GLN37F, GLU13B, GLU155F, GLU61B, GLU61F, GLU62B, GLU62F, GLU82B, GLU82F, GLY11B, GLY141F, GLY64B, GLY64F, GLY70B, GLY70F, GLY73B, GLY73F, GLY74B, GLY74F, GLY76B, GLY76F, GLY84B, GLY84F, GLY89B, GLY89F, GLY92B, GLY92F, GLY93B, GLY93F, ILE131B, ILE77F, LEU136F, LEU29B, LEU56B, LEU56F, LEU60B, LEU60F, LEU63B, LEU63F, LEU68B, LEU68F, LYS67B, LYS67F, MET97B, PRO12B, PRO137F, PRO81B, PRO81F, PRO86B, PRO86F, SER129F, SER30B, SER31B, SER57B, SER57F, SER85B, SER85F, SER91B, SER91F, THR75B, THR75F, THR94B, TYR126F, TYR78B, TYR78F, VAL139F, VAL140F, VAL26B, VAL66B, VAL66F, VAL79B, VAL79F, VAL80B, VAL87B, VAL87F, VAL90B, VAL90F
• C-D: ALA10D, ALA123C, ALA123D, ALA124C, ALA124D, ALA128C, ALA128D, ALA130C, ALA130D, ALA144D, ALA15C, ALA15D, ALA163C, ALA163D, ALA16C, ALA16D, ALA19C, ALA19D, ALA23C, ALA23D, ALA27C, ALA27D, ALA6D, ALA7D, ARG118C, ARG118D, ARG133C, ARG133D, ARG170C, ARG170D, ARG18C, ARG18D, ARG21C, ARG21D, ARG24C, ARG24D, ARG96C, ARG96D, ARG99C, ARG99D, ASN168C, ASN168D, ASN17C, ASN17D, ASP109C, ASP109D, ASP110C, ASP110D, ASP146C, ASP146D, ASP147C, ASP147D, ASP83C, ASP83D, GLN22C, GLN22D, GLU103C, GLU103D, GLU13C, GLU13D, GLU167C, GLU167D, GLY102C, GLY102D, GLY11C, GLY11D, GLY122C, GLY122D, GLY145C, GLY145D, GLY164C, GLY164D, GLY20C, GLY20D, HIS125C, HIS125D, ILE25C, ILE25D, LEU100C, LEU100D, LEU101C, LEU101D, LEU104C, LEU104D, LEU105C, LEU105D, LEU127C, LEU127D, LYS5D, PRO120C, PRO120D, PRO121C, PRO121D, PRO12C, PRO12D, PRO8D, SER107C, SER107D, SER129C, SER129D, THR108C, THR108D, THR119C, THR119D, TYR126C, TYR126D, VAL106C, VAL106D, VAL116C, VAL116D, VAL14C, VAL14D, VAL26C, VAL26D
• C-E: ALA130C, ALA134C, ALA134E, ALA135C, ALA135E, ALA27C, ALA65C, ALA65E, ALA71C, ALA71E, ALA98C, ARG133C, ARG133E, ARG154E, ARG18C, ARG24C, ARG58C, ARG58E, ARG69C, ARG69E, ARG88C, ARG88E, ARG96C, ARG96E, ARG99C, ASP132C, ASP59C, ASP59E, ASP72C, ASP72E, ASP83C, ASP83E, ASP95C, GLN33E, GLN37C, GLN37E, GLU13C, GLU61C, GLU61E, GLU62C, GLU62E, GLU82C, GLU82E, GLY11C, GLY141E, GLY64C, GLY64E, GLY70C, GLY70E, GLY73C, GLY73E, GLY74C, GLY74E, GLY76C, GLY76E, GLY84C, GLY84E, GLY89C, GLY89E, GLY92C, GLY92E, GLY93C, GLY93E, ILE131C, ILE77E, LEU136E, LEU29C, LEU56C, LEU56E, LEU60C, LEU60E, LEU63C, LEU63E, LEU68C, LEU68E, LYS67C, LYS67E, MET97C, PRO12C, PRO137C, PRO137E, PRO81C, PRO81E, PRO86C, PRO86E, SER129C, SER129E, SER30C, SER31C, SER57C, SER57E, SER85C, SER85E, SER91C, SER91E, THR75C, THR75E, THR94C, TYR126E, TYR78C, TYR78E, VAL139E, VAL140E, VAL26C, VAL66C, VAL66E, VAL79C, VAL79E, VAL80C, VAL87C, VAL87E, VAL90C, VAL90E
• C-F: ASP146C, ASP146F, GLY122C, GLY122F, PRO121C, PRO121F
• D-E: ALA115D, ALA124D, ALA128E, ALA135E, ALA144D, ALA144E, ALA153E, ALA160D, ARG118D, ARG133E, ARG154E, ASN113D, ASN113E, ASP109D, ASP110D, ASP132E, ASP146D, ASP147D, GLU155E, GLY112D, GLY112E, GLY141E, GLY145D, GLY145E, GLY159D, GLY159E, HIS125D, HIS125E, ILE131E, ILE143D, ILE143E, ILE149D, LEU114D, LEU114E, LEU117D, LEU150D, LEU150E, LEU162E, PRO121D, SER107D, SER111D, SER129E, THR108D, THR142D, THR142E, THR148D, THR157E, THR158E, VAL116D, VAL139E, VAL140E, VAL151D, VAL151E, VAL152D, VAL152E
• D-F: ALA115F, ALA124F, ALA128D, ALA135D, ALA144D, ALA144F, ALA153D, ALA160F, ALA163F, ARG118F, ARG133D, ARG154D, ARG170F, ARG88D, ASN113D, ASN113F, ASP109F, ASP110F, ASP132D, ASP146F, ASP147F, ASP83D, GLN138D, GLU155D, GLU82D, GLY112D, GLY112F, GLY122F, GLY141D, GLY145D, GLY145F, GLY159F, GLY84D, HIS125D, HIS125F, ILE131D, ILE143D, ILE143F, ILE149F, LEU114D, LEU114F, LEU117F, LEU150D, LEU150F, PRO120F, PRO121F, PRO86D, SER107F, SER111F, SER129D, SER85D, THR108F, THR119F, THR142D, THR142F, THR148F, THR157D, THR158D, VAL106F, VAL116F, VAL139D, VAL140D, VAL151D, VAL151F, VAL152D, VAL152F
• E-F: ALA115E, ALA124E, ALA128F, ALA135F, ALA144E, ALA144F, ALA153F, ARG118E, ARG133F, ARG154F, ASN113E, ASN113F, ASP109E, ASP110E, ASP132F, ASP146E, ASP147E, GLU155F, GLY112E, GLY141F, GLY145E, GLY145F, HIS125E, HIS125F, ILE131F, ILE143E, ILE143F, ILE149E, LEU114E, LEU114F, LEU117E, LEU150E, LEU150F, PRO121E, SER107E, SER111E, SER129F, THR108E, THR142E, THR142F, THR148E, THR157F, THR158F, VAL116E, VAL139F, VAL140F, VAL151E, VAL151F, VAL152E, VAL152F