2I7H

crystal structure of the nitroreductase-like family protein from bacillus cereus

• Total interactions analyzed: 15
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 22
  • Norm. En. per Res.: -5.543
• 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	-251.3467	-79.6718	-936.401	-1267.4195	231	56	25	34765	5	61	67
A-C	-44.4452	0.0	-64.9866	-109.4318	22	5	2	2224	0	1	2
B-C	-4.0344	0.0	-62.7406	-66.775	58	3	0	3010	0	6	9
B-D	-48.744	0.0	-73.2016	-121.9456	22	4	2	2418	0	2	2
C-D	-208.8169	-86.871	-913.612	-1209.2998	234	45	25	35100	6	63	68
E-F	-228.972	-91.3486	-944.588	-1264.9086	233	47	27	35808	7	63	67

Interface residues

• A-B: ALA111A, ALA111B, ALA112A, ALA112B, ALA115A, ALA115B, ALA124A, ALA124B, ALA173A, ALA173B, ALA37A, ALA37B, ALA40A, ALA40B, ALA8A, ALA8B, ARG106A, ARG106B, ARG127A, ARG127B, ARG14A, ARG14B, ARG155A, ARG155B, ARG15A, ARG15B, ARG174A, ARG174B, ARG18A, ARG18B, ARG46A, ARG46B, ARG59A, ARG59B, ASN119A, ASN119B, ASN139A, ASN139B, ASN141A, ASN141B, ASN35A, ASN35B, ASN42A, ASN42B, ASN50A, ASN50B, ASN98A, ASN9A, ASN9B, ASP107A, ASP107B, ASP109A, ASP109B, ASP28A, ASP28B, ASP36A, ASP36B, CYS114A, CYS114B, CYS131A, CYS131B, CYS51A, CYS51B, GLN103A, GLN103B, GLN105A, GLN105B, GLN118A, GLN118B, GLN121A, GLN121B, GLN92A, GLN92B, GLU108A, GLU108B, GLU126A, GLU126B, GLU13A, GLU13B, GLU170A, GLU170B, GLU179A, GLU179B, GLU182A, GLU182B, GLU185A, GLU185B, GLU32A, GLU32B, GLU47A, GLU47B, GLU57A, GLU57B, GLU99B, GLY136A, GLY136B, GLY137A, GLY137B, GLY149A, GLY149B, GLY158A, GLY158B, GLY171A, GLY171B, GLY186A, GLY186B, GLY56A, GLY56B, GLY58A, GLY58B, HIS43A, HIS43B, HIS45A, HIS45B, ILE104A, ILE104B, ILE11A, ILE11B, ILE145B, ILE148A, ILE148B, ILE156A, ILE156B, ILE177A, ILE177B, ILE183A, ILE183B, ILE184A, ILE184B, ILE31A, ILE31B, ILE55A, ILE55B, ILE7A, ILE7B, ILE93A, ILE93B, LEU122A, LEU122B, LEU123A, LEU123B, LEU138A, LEU138B, LEU150A, LEU160B, LEU30A, LEU30B, LEU33A, LEU33B, LEU34A, LEU34B, LEU53A, LEU53B, LEU62A, LEU62B, LYS12A, LYS12B, LYS134A, LYS134B, LYS172A, LYS172B, LYS180A, LYS180B, LYS27A, LYS27B, LYS44A, LYS44B, LYS52A, LYS52B, LYS60A, LYS60B, LYS61A, LYS61B, PHE116A, PHE116B, PHE120A, PHE120B, PRO176A, PRO176B, PRO41A, PRO41B, PRO48A, PRO48B, SER135A, SER135B, SER16A, SER16B, SER6A, SER6B, THR113A, THR113B, THR175A, THR175B, THR178A, THR178B, THR2A, THR2B, THR38A, THR38B, THR3A, THR3B, THR5A, THR5B, TRP125A, TRP125B, TRP133A, TRP133B, TRP39A, TRP39B, TRP49A, TRP49B, TYR110A, TYR110B, TYR140A, TYR140B, TYR4A, TYR4B, TYR54A, TYR54B, TYR96A, TYR96B, VAL10A, VAL10B, VAL132A, VAL132B, VAL157A, VAL157B, VAL94A, VAL94B, VAL95A, VAL95B
• A-C: ALA0A, ALA168C, ARG14C, ARG15C, ASN9A, ASP166C, GLU13C, GLU170C, GLY128C, GLY171C, LYS167C, PHE165C, PRO169C, SER6A, THR21C, THR2A, THR3A, THR5A, TRP125C, TYR4A, TYR4C, VAL17C
• B-C: ALA0B, ALA0C, ALA124B, ALA124C, ALA168B, ALA168C, ALA24C, ARG127B, ARG127C, ARG14B, ARG14C, ARG15B, ARG15C, ASN9B, ASN9C, ASP166B, ASP166C, GLU126B, GLU126C, GLU13B, GLU13C, GLU170B, GLU170C, GLU26C, GLU32B, GLY128B, GLY128C, GLY130B, GLY130C, GLY171B, GLY171C, LEU129B, LEU129C, LEU29C, LYS167B, LYS167C, LYS23B, LYS23C, PHE165B, PHE165C, THR21B, THR2B, THR2C, THR3B, THR3C, THR5B, THR5C, TRP125B, TRP125C, TYR164B, TYR164C, TYR4B, TYR4C, VAL10B, VAL10C, VAL17B, VAL17C, VAL25C
• B-D: ALA0D, ALA168B, ARG14B, ARG15B, ASN9D, ASP166B, GLU13B, GLU170B, GLY128B, GLY171B, LYS167B, PHE165B, PRO169B, SER6D, THR21B, THR2D, THR3D, THR5D, TRP125B, TYR4B, TYR4D, VAL17B
• C-D: ALA0C, ALA111C, ALA111D, ALA112C, ALA112D, ALA115C, ALA115D, ALA124C, ALA124D, ALA173C, ALA173D, ALA37C, ALA37D, ALA40C, ALA40D, ALA8C, ALA8D, ARG102D, ARG106C, ARG106D, ARG127C, ARG127D, ARG14C, ARG14D, ARG155C, ARG155D, ARG15C, ARG15D, ARG174C, ARG174D, ARG18C, ARG18D, ARG46C, ARG46D, ARG59C, ARG59D, ASN119C, ASN119D, ASN139C, ASN139D, ASN141C, ASN141D, ASN35C, ASN35D, ASN42C, ASN42D, ASN50C, ASN50D, ASN98C, ASN98D, ASN9C, ASN9D, ASP107C, ASP107D, ASP109C, ASP109D, ASP28C, ASP28D, ASP36C, ASP36D, CYS114C, CYS114D, CYS131C, CYS131D, CYS51C, CYS51D, GLN103C, GLN103D, GLN105C, GLN105D, GLN118C, GLN118D, GLN121C, GLN121D, GLN92C, GLN92D, GLU108C, GLU108D, GLU126C, GLU126D, GLU13C, GLU13D, GLU170C, GLU170D, GLU179C, GLU179D, GLU182C, GLU182D, GLU185C, GLU185D, GLU32C, GLU32D, GLU47C, GLU47D, GLU57C, GLU57D, GLY136C, GLY136D, GLY137C, GLY137D, GLY149C, GLY149D, GLY158C, GLY158D, GLY171C, GLY171D, GLY186C, GLY186D, GLY56C, GLY56D, GLY58C, GLY58D, HIS43C, HIS43D, HIS45C, HIS45D, ILE104C, ILE104D, ILE11C, ILE11D, ILE148C, ILE148D, ILE156C, ILE156D, ILE177C, ILE177D, ILE183C, ILE183D, ILE184C, ILE184D, ILE31C, ILE31D, ILE55C, ILE55D, ILE7C, ILE7D, ILE93C, ILE93D, LEU122C, LEU122D, LEU123C, LEU123D, LEU138C, LEU138D, LEU150C, LEU150D, LEU160C, LEU160D, LEU30C, LEU30D, LEU33C, LEU33D, LEU34C, LEU34D, LEU53C, LEU53D, LEU62C, LEU62D, LYS12C, LYS12D, LYS134C, LYS134D, LYS172C, LYS172D, LYS180C, LYS180D, LYS27C, LYS27D, LYS44C, LYS44D, LYS52C, LYS52D, LYS60C, LYS60D, LYS61C, LYS61D, PHE116C, PHE116D, PHE120C, PHE120D, PRO176C, PRO176D, PRO41C, PRO41D, PRO48C, PRO48D, SER135C, SER135D, SER16C, SER16D, SER6C, SER6D, THR113C, THR113D, THR175C, THR175D, THR178C, THR178D, THR2C, THR2D, THR38C, THR38D, THR3C, THR3D, THR5C, THR5D, TRP125C, TRP125D, TRP133C, TRP133D, TRP39C, TRP39D, TRP49C, TRP49D, TYR110C, TYR110D, TYR140C, TYR140D, TYR4C, TYR4D, TYR54C, TYR54D, TYR96C, TYR96D, VAL10C, VAL10D, VAL132C, VAL132D, VAL157C, VAL157D, VAL94C, VAL94D, VAL95C, VAL95D
• E-F: ALA111E, ALA111F, ALA112E, ALA112F, ALA115E, ALA115F, ALA124E, ALA124F, ALA173E, ALA173F, ALA37E, ALA37F, ALA40E, ALA40F, ALA8E, ALA8F, ARG102F, ARG106E, ARG106F, ARG127E, ARG127F, ARG14E, ARG14F, ARG155E, ARG155F, ARG15E, ARG15F, ARG174E, ARG174F, ARG18E, ARG18F, ARG46E, ARG46F, ARG59E, ARG59F, ASN119E, ASN119F, ASN139E, ASN139F, ASN141E, ASN141F, ASN35E, ASN35F, ASN42E, ASN42F, ASN50E, ASN50F, ASN98E, ASN98F, ASN9E, ASN9F, ASP107E, ASP107F, ASP109E, ASP109F, ASP28E, ASP28F, ASP36E, ASP36F, CYS114E, CYS114F, CYS131F, CYS51E, CYS51F, GLN103E, GLN103F, GLN105E, GLN105F, GLN118E, GLN118F, GLN121E, GLN121F, GLN92E, GLN92F, GLU108E, GLU108F, GLU126E, GLU126F, GLU13E, GLU13F, GLU170E, GLU170F, GLU179E, GLU179F, GLU182E, GLU182F, GLU185E, GLU185F, GLU32E, GLU32F, GLU47E, GLU47F, GLU57E, GLU57F, GLU99E, GLU99F, GLY136E, GLY136F, GLY137E, GLY137F, GLY149E, GLY149F, GLY158E, GLY158F, GLY171E, GLY171F, GLY186F, GLY56E, GLY56F, GLY58E, GLY58F, HIS43E, HIS43F, HIS45E, HIS45F, ILE104E, ILE104F, ILE11E, ILE11F, ILE148E, ILE148F, ILE156E, ILE156F, ILE177E, ILE177F, ILE183E, ILE183F, ILE184E, ILE184F, ILE31E, ILE31F, ILE55E, ILE55F, ILE7E, ILE7F, ILE93E, ILE93F, LEU122E, LEU122F, LEU123E, LEU123F, LEU138E, LEU138F, LEU150E, LEU150F, LEU160E, LEU160F, LEU30E, LEU30F, LEU33E, LEU33F, LEU34E, LEU34F, LEU53E, LEU53F, LEU62E, LEU62F, LYS12E, LYS12F, LYS134E, LYS134F, LYS172E, LYS172F, LYS180E, LYS180F, LYS27E, LYS27F, LYS44E, LYS44F, LYS52E, LYS52F, LYS60E, LYS60F, LYS61E, LYS61F, PHE116E, PHE116F, PHE120E, PHE120F, PRO176E, PRO176F, PRO41E, PRO41F, PRO48E, PRO48F, SER135E, SER135F, SER16E, SER16F, SER6E, SER6F, THR113E, THR113F, THR175E, THR175F, THR178E, THR178F, THR2E, THR2F, THR38E, THR38F, THR3E, THR3F, THR5E, THR5F, TRP125E, TRP125F, TRP133E, TRP133F, TRP39E, TRP39F, TRP49E, TRP49F, TYR110E, TYR110F, TYR140E, TYR140F, TYR4E, TYR4F, TYR54E, TYR54F, TYR96E, TYR96F, VAL10E, VAL10F, VAL132E, VAL132F, VAL157E, VAL157F, VAL94E, VAL94F, VAL95E, VAL95F