1XS6

dctp deaminase from escherichia coli. e138a mutant enzyme in complex with dutp

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 167
  • Norm. En. per Res.: -4.9855
• Hub Node: A(2)

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	-120.8203	-127.5653	-586.19	-834.5756	169	32	23	23003	16	48	59
A-C	-118.7642	-103.0945	-595.17	-817.0287	168	37	21	23128	17	49	60
B-C	-116.4641	-133.4343	-582.681	-832.5794	167	35	20	23118	15	49	61
B-F	0.0	23.4259	-4.7021	18.7238	19	0	0	286	0	9	10
C-F	-6.2724	-25.4343	-22.1432	-53.8499	26	2	0	979	2	19	22
D-E	-121.1352	-109.7221	-584.792	-815.6494	168	37	21	22946	15	48	58
D-F	-123.5232	-117.187	-585.193	-825.9033	171	34	23	23048	18	48	60
E-F	-109.9476	-94.6681	-586.472	-791.0877	171	29	22	23218	14	49	58

Interface residues

• A-B: ALA101B, ALA114A, ALA124A, ALA124B, ALA138A, ALA138B, ALA148A, ALA157A, ALA167B, ALA177B, ALA185B, ALA187B, ALA31A, ALA49B, ALA50B, ALA64B, ALA80A, ALA89B, ALA91B, ARG110A, ARG115A, ARG126B, ARG150A, ARG169B, ARG173B, ARG174B, ARG189B, ARG27A, ARG2A, ARG2B, ARG36A, ARG42B, ARG45B, ARG67B, ARG6A, ASN141A, ASN141B, ASN29A, ASP102B, ASP108A, ASP128B, ASP176B, ASP191B, ASP193B, ASP34A, ASP53B, ASP5A, ASP7A, CYS134B, CYS4A, GLN182B, GLN183B, GLU161A, GLU161B, GLU175B, GLU26A, GLU87B, GLU9A, GLY105B, GLY109A, GLY117A, GLY130B, GLY143A, GLY152A, GLY156A, GLY165B, GLY184B, GLY30A, GLY46B, GLY56B, GLY86A, GLY86B, HIS121A, HIS121B, HIS125A, HIS125B, HIS47B, HIS84A, HIS84B, ILE127B, ILE135B, ILE155A, ILE190B, ILE28A, ILE52B, ILE8A, LEU103B, LEU107A, LEU113A, LEU116A, LEU118A, LEU137B, LEU145A, LEU147A, LEU149A, LEU154A, LEU158A, LEU163B, LEU37A, LEU3A, LEU3B, LEU54B, LEU65B, LEU83A, LEU88B, LEU90B, LYS144A, LYS178B, LYS192B, MET119A, MET119B, MET153A, MET1A, MET1B, MET69B, PHE139A, PHE139B, PHE160A, PHE160B, PHE44B, PHE51B, PHE81A, PRO129B, PRO146A, PRO151A, PRO162A, PRO162B, PRO166B, PRO170B, PRO24A, PRO57B, PRO85A, PRO85B, SER111A, SER112A, SER142A, SER142B, SER159A, SER159B, SER164B, SER188B, SER55B, THR123A, THR123B, THR32A, THR43B, THR48B, TRP106A, TRP106B, TRP11A, TRP131B, TYR140A, TYR140B, TYR171B, TYR179B, TYR82A, VAL104B, VAL120A, VAL120B, VAL122A, VAL122B, VAL136B, VAL168B, VAL186B, VAL25A, VAL33A, VAL61B, VAL68B, VAL92B
• A-C: ALA101A, ALA114C, ALA124A, ALA124C, ALA138A, ALA138C, ALA148C, ALA157C, ALA167A, ALA177A, ALA185A, ALA187A, ALA31C, ALA49A, ALA50A, ALA64A, ALA80C, ALA89A, ALA91A, ARG110C, ARG115C, ARG126A, ARG150C, ARG169A, ARG174A, ARG189A, ARG22C, ARG27C, ARG2A, ARG2C, ARG36C, ARG42A, ARG45A, ARG67A, ARG6C, ASN141A, ASN141C, ASN29C, ASP102A, ASP108C, ASP128A, ASP176A, ASP191A, ASP193A, ASP34C, ASP53A, ASP5C, ASP7C, CYS134A, CYS4C, GLN182A, GLU161A, GLU161C, GLU175A, GLU26C, GLU60A, GLU87A, GLU9C, GLY105A, GLY109C, GLY117C, GLY130A, GLY143C, GLY152C, GLY156C, GLY165A, GLY184A, GLY30C, GLY46A, GLY56A, GLY86A, GLY86C, HIS121A, HIS121C, HIS125A, HIS125C, HIS47A, HIS84A, HIS84C, ILE127A, ILE135A, ILE155C, ILE190A, ILE28C, ILE52A, ILE8C, LEU103A, LEU107C, LEU113C, LEU116C, LEU118C, LEU137A, LEU145C, LEU147C, LEU149C, LEU154C, LEU158C, LEU163A, LEU37C, LEU3C, LEU54A, LEU65A, LEU83C, LEU88A, LEU90A, LYS144C, LYS178A, LYS192A, MET119A, MET119C, MET153C, MET1A, MET1C, MET69A, PHE139A, PHE139C, PHE160A, PHE160C, PHE44A, PHE51A, PHE81C, PRO129A, PRO146C, PRO151C, PRO162A, PRO162C, PRO166A, PRO170A, PRO24C, PRO57A, PRO85A, PRO85C, SER111C, SER112C, SER142A, SER142C, SER159A, SER159C, SER164A, SER188A, SER55A, THR123A, THR123C, THR32C, THR43A, THR48A, TRP106A, TRP106C, TRP11C, TRP131A, TYR140A, TYR140C, TYR171A, TYR179A, TYR82C, VAL104A, VAL120A, VAL120C, VAL122A, VAL122C, VAL136A, VAL168A, VAL186A, VAL25C, VAL33C, VAL61A, VAL68A, VAL92A
• B-C: ALA101C, ALA114B, ALA124B, ALA124C, ALA138B, ALA138C, ALA148B, ALA157B, ALA167C, ALA177C, ALA185C, ALA187C, ALA31B, ALA49C, ALA50C, ALA64C, ALA80B, ALA89C, ALA91C, ARG110B, ARG115B, ARG126C, ARG150B, ARG169C, ARG174C, ARG189C, ARG27B, ARG2B, ARG2C, ARG36B, ARG42C, ARG45C, ARG67C, ARG6B, ASN141B, ASN141C, ASN29B, ASP102C, ASP108B, ASP128C, ASP176C, ASP191C, ASP193C, ASP34B, ASP53C, ASP5B, ASP7B, CYS134C, CYS4B, GLN182C, GLN183C, GLU161B, GLU161C, GLU175C, GLU26B, GLU87C, GLU9B, GLY105C, GLY109B, GLY117B, GLY130C, GLY143B, GLY152B, GLY156B, GLY165C, GLY184C, GLY30B, GLY46C, GLY56C, GLY86B, GLY86C, HIS121B, HIS121C, HIS125B, HIS125C, HIS47C, HIS84B, HIS84C, ILE127C, ILE135C, ILE155B, ILE190C, ILE28B, ILE52C, ILE8B, LEU103C, LEU107B, LEU113B, LEU116B, LEU118B, LEU137C, LEU145B, LEU147B, LEU149B, LEU154B, LEU158B, LEU163C, LEU37B, LEU3B, LEU54C, LEU65C, LEU83B, LEU88C, LEU90C, LYS144B, LYS178C, LYS192C, MET119B, MET119C, MET153B, MET1B, MET1C, MET69C, PHE139B, PHE139C, PHE160B, PHE160C, PHE44C, PHE51C, PHE81B, PRO129C, PRO146B, PRO151B, PRO162B, PRO162C, PRO166C, PRO170C, PRO24B, PRO57C, PRO85B, PRO85C, SER111B, SER112B, SER142B, SER142C, SER159B, SER159C, SER164C, SER188C, SER55C, THR123B, THR123C, THR32B, THR43C, THR48C, TRP106B, TRP106C, TRP11B, TRP131C, TYR140B, TYR140C, TYR171C, TYR179C, TYR82B, VAL104C, VAL120B, VAL120C, VAL122B, VAL122C, VAL136C, VAL168C, VAL186C, VAL25B, VAL33B, VAL61C, VAL68C, VAL92C
• B-F: ALA80F, ARG27B, ARG36B, ASN181F, ASP76F, GLN182F, GLN183F, GLU26B, GLU77B, GLU77F, GLU79F, GLY152B, GLY78B, GLY78F, LYS40F, PRO151B, PRO24B, VAL25B, VAL74F
• C-F: ARG169C, ARG180F, ARG189F, ARG42F, ARG45F, ARG67F, ASN181F, ASP176C, ASP191C, ASP193C, ASP59C, ASP66F, ASP71F, GLN182F, GLN183F, GLU175C, GLU60C, GLU72F, GLY56C, LYS58C, MET69F, PRO57C, SER55C, SER70F, THR48F, VAL61C
• D-E: ALA101E, ALA114D, ALA124D, ALA124E, ALA138D, ALA138E, ALA148D, ALA157D, ALA167E, ALA177E, ALA185E, ALA187E, ALA31D, ALA49E, ALA50E, ALA64E, ALA80D, ALA89E, ALA91E, ARG110D, ARG115D, ARG126E, ARG150D, ARG169E, ARG174E, ARG189E, ARG22D, ARG27D, ARG2D, ARG2E, ARG42E, ARG45E, ARG67E, ARG6D, ASN141D, ASN141E, ASN29D, ASP102E, ASP108D, ASP128E, ASP176E, ASP191E, ASP193E, ASP34D, ASP53E, ASP5D, ASP7D, CYS134E, CYS4D, GLN182E, GLN183E, GLU161D, GLU161E, GLU175E, GLU26D, GLU60E, GLU87E, GLU9D, GLY105E, GLY109D, GLY117D, GLY130E, GLY143D, GLY152D, GLY156D, GLY165E, GLY184E, GLY30D, GLY46E, GLY56E, GLY86D, GLY86E, HIS121D, HIS121E, HIS125D, HIS125E, HIS47E, HIS84D, HIS84E, ILE127E, ILE135E, ILE155D, ILE190E, ILE28D, ILE52E, ILE8D, LEU103E, LEU107D, LEU113D, LEU116D, LEU118D, LEU137E, LEU145D, LEU147D, LEU149D, LEU154D, LEU158D, LEU163E, LEU37D, LEU3D, LEU54E, LEU65E, LEU83D, LEU88E, LEU90E, LYS144D, LYS178E, LYS192E, MET119D, MET119E, MET153D, MET1D, MET1E, MET69E, PHE139D, PHE139E, PHE160D, PHE160E, PHE44E, PHE51E, PHE81D, PRO129E, PRO146D, PRO151D, PRO162D, PRO162E, PRO166E, PRO170E, PRO24D, PRO57E, PRO85D, PRO85E, SER111D, SER112D, SER142D, SER142E, SER159D, SER159E, SER164E, SER188E, SER55E, THR123D, THR123E, THR32D, THR43E, THR48E, TRP106D, TRP106E, TRP11D, TRP131E, TYR140D, TYR140E, TYR171E, TYR179E, TYR82D, VAL104E, VAL120D, VAL120E, VAL122D, VAL122E, VAL136E, VAL168E, VAL186E, VAL25D, VAL33D, VAL61E, VAL68E, VAL92E
• D-F: ALA101D, ALA10F, ALA114F, ALA124D, ALA124F, ALA138D, ALA138F, ALA148F, ALA157F, ALA167D, ALA177D, ALA185D, ALA187D, ALA31F, ALA49D, ALA50D, ALA64D, ALA80F, ALA89D, ALA91D, ARG110F, ARG115F, ARG126D, ARG150F, ARG169D, ARG173D, ARG174D, ARG189D, ARG22F, ARG27F, ARG2D, ARG2F, ARG36F, ARG42D, ARG45D, ARG67D, ARG6F, ASN141D, ASN141F, ASN29F, ASP102D, ASP108F, ASP128D, ASP176D, ASP191D, ASP193D, ASP34F, ASP53D, ASP5F, ASP7F, CYS134D, CYS4F, GLN182D, GLN183D, GLU161D, GLU161F, GLU175D, GLU26F, GLU87D, GLU9F, GLY105D, GLY109F, GLY117F, GLY130D, GLY143F, GLY152F, GLY156F, GLY165D, GLY184D, GLY30F, GLY46D, GLY56D, GLY86D, GLY86F, HIS121D, HIS121F, HIS125D, HIS125F, HIS47D, HIS84D, HIS84F, ILE127D, ILE135D, ILE155F, ILE190D, ILE28F, ILE52D, ILE8F, LEU103D, LEU107F, LEU113F, LEU116F, LEU118F, LEU137D, LEU145F, LEU147F, LEU149F, LEU154F, LEU158F, LEU163D, LEU37F, LEU3D, LEU3F, LEU54D, LEU65D, LEU83F, LEU88D, LEU90D, LYS144F, LYS178D, LYS192D, MET119D, MET119F, MET153F, MET1D, MET1F, MET69D, PHE139D, PHE139F, PHE160D, PHE160F, PHE44D, PHE51D, PHE81F, PRO129D, PRO146F, PRO151F, PRO162D, PRO162F, PRO166D, PRO170D, PRO24F, PRO57D, PRO85D, PRO85F, SER111F, SER112F, SER142D, SER142F, SER159D, SER159F, SER164D, SER188D, SER55D, THR123D, THR123F, THR32F, THR43D, THR48D, TRP106D, TRP106F, TRP11F, TRP131D, TYR140D, TYR140F, TYR171D, TYR179D, TYR82F, VAL104D, VAL120D, VAL120F, VAL122D, VAL122F, VAL136D, VAL168D, VAL186D, VAL25F, VAL33F, VAL61D, VAL68D, VAL92D
• E-F: ALA101F, ALA114E, ALA124E, ALA124F, ALA138E, ALA138F, ALA148E, ALA157E, ALA167F, ALA177F, ALA185F, ALA187F, ALA31E, ALA49F, ALA50F, ALA64F, ALA80E, ALA89F, ALA91F, ARG110E, ARG115E, ARG126F, ARG150E, ARG169F, ARG174F, ARG189F, ARG22E, ARG27E, ARG2E, ARG2F, ARG36E, ARG42F, ARG45F, ARG67F, ARG6E, ASN141E, ASN141F, ASN29E, ASP102F, ASP108E, ASP128F, ASP176F, ASP191F, ASP193F, ASP34E, ASP53F, ASP5E, ASP7E, CYS134F, CYS4E, GLN182F, GLN183F, GLU161E, GLU161F, GLU175F, GLU26E, GLU60F, GLU87F, GLU9E, GLY105F, GLY109E, GLY117E, GLY130F, GLY143E, GLY152E, GLY156E, GLY165F, GLY184F, GLY30E, GLY46F, GLY56F, GLY78E, GLY86E, GLY86F, HIS121E, HIS121F, HIS125E, HIS125F, HIS47F, HIS84E, HIS84F, ILE127F, ILE135F, ILE155E, ILE190F, ILE28E, ILE52F, ILE8E, LEU103F, LEU107E, LEU113E, LEU116E, LEU118E, LEU137F, LEU145E, LEU147E, LEU149E, LEU154E, LEU158E, LEU163F, LEU37E, LEU3E, LEU3F, LEU54F, LEU65F, LEU83E, LEU88F, LEU90F, LYS144E, LYS178F, LYS192F, MET119E, MET119F, MET153E, MET1E, MET1F, MET69F, PHE139E, PHE139F, PHE160E, PHE160F, PHE44F, PHE51F, PHE81E, PRO129F, PRO146E, PRO151E, PRO162E, PRO162F, PRO166F, PRO170F, PRO24E, PRO57F, PRO85E, PRO85F, SER111E, SER112E, SER142E, SER142F, SER159E, SER159F, SER164F, SER188F, SER55F, THR123E, THR123F, THR32E, THR43F, THR48F, TRP106E, TRP106F, TRP11E, TRP131F, TYR140E, TYR140F, TYR171F, TYR179F, TYR82E, VAL104F, VAL120E, VAL120F, VAL122E, VAL122F, VAL136F, VAL168F, VAL186F, VAL25E, VAL33E, VAL61F, VAL68F, VAL92F