1VHJ

crystal structure of purine nucleoside phosphorylase

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: C-F
  • Int. Res.: 143
  • Norm. En. per Res.: -5.4661
• 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	0.0	6.9817	-10.6985	-3.7168	15	1	0	526	0	13	15
A-C	0.0	5.6215	-5.2335	0.3879	16	1	0	537	0	12	15
A-D	-17.1052	13.8619	-410.563	-413.8064	144	11	6	17623	0	49	35
A-E	-76.9359	-142.2807	-518.099	-737.3155	144	21	20	18101	12	64	65
B-C	0.0	7.6168	-12.0145	-4.3977	15	1	0	555	0	13	15
B-D	-104.9434	-155.8984	-521.459	-782.3007	144	29	20	18331	13	66	62
B-F	-15.5683	18.299	-387.44	-384.7093	136	7	6	17218	0	48	35
C-E	-13.3579	17.7653	-416.696	-412.2887	142	13	6	17659	0	49	35
C-F	-99.7813	-149.2363	-532.632	-781.6496	143	24	20	18294	13	66	62
D-E	0.0	6.2882	-11.6093	-5.3211	15	1	0	566	0	13	14
D-F	0.0	8.2413	-12.8946	-4.6533	15	1	0	559	0	13	15
E-F	0.0	7.1589	-6.2309	0.9281	14	1	0	527	0	13	15

Interface residues

• A-B: ARG118A, ARG118B, ASP123A, ASP123B, ASP125B, HIS124B, ILE119A, LEU159A, LYS115A, LYS122B, LYS173B, PHE121B, PRO163A, TYR174B, VAL116A
• A-C: ARG118A, ARG118C, ASP123A, ASP123C, ASP125A, HIS124A, ILE119C, LEU159C, LYS115C, LYS122A, LYS173A, PHE121A, PRO163C, TYR174A, VAL116C, VAL170A
• A-D: ALA157A, ALA157D, ALA26A, ALA26D, ARG118A, ARG118D, ARG120A, ARG120D, ARG25A, ARG25D, ARG44A, ARG44D, ARG88A, ARG88D, ASN117A, ASN117D, ASN45A, ASN45D, ASN7A, ASN7D, ASP113A, ASP113D, ASP123A, ASP123D, ASP164A, ASP164D, ASP205A, ASP22A, ASP22D, ASP42A, ASP42D, ASP80A, ASP80D, CYS70A, CYS70D, GLN39A, GLN39D, GLU158A, GLU158D, GLU182A, GLU182D, GLU192A, GLU192D, GLU76A, GLU76D, GLY185A, GLY185D, GLY188A, GLY188D, GLY21A, GLY21D, GLY62A, GLY62D, GLY64A, GLY64D, GLY66A, GLY66D, GLY90A, GLY90D, HIS5A, HIS5D, HIS63A, HIS63D, ILE119A, ILE119D, ILE67A, ILE67D, ILE6A, ILE6D, ILE72A, ILE72D, LEU159A, LEU159D, LEU24A, LEU24D, LEU77A, LEU77D, LYS115A, LYS115D, LYS122A, LYS122D, LYS27A, LYS27D, LYS79A, LYS79D, MET167A, MET167D, MET181A, MET181D, MET46A, MET46D, MET61A, MET65A, MET65D, PHE121A, PHE121D, PHE155A, PHE155D, PHE160A, PHE160D, PHE47A, PHE47D, PRO163A, PRO163D, PRO20A, PRO20D, PRO23A, PRO23D, PRO4A, PRO4D, PRO68A, PRO68D, SER114A, SER114D, SER69A, SER69D, SER71A, SER71D, SER91A, SER91D, THR112A, THR112D, THR162A, THR162D, THR3A, THR3D, THR75A, THR75D, TYR161A, TYR161D, TYR193A, TYR193D, TYR49A, TYR49D, TYR73A, TYR73D, VAL116A, VAL116D, VAL189A, VAL189D, VAL43A, VAL43D, VAL74A, VAL74D
• A-E: ALA110A, ALA110E, ALA127A, ALA127E, ALA128A, ALA128E, ALA130A, ALA130E, ALA137A, ALA137E, ALA138A, ALA138E, ALA184A, ALA184E, ALA190A, ALA190E, ALA191A, ALA191E, ALA197A, ALA197E, ARG118A, ARG118E, ARG120A, ARG120E, ASN117A, ASN117E, ASN153A, ASN153E, ASP113A, ASP113E, ASP123A, ASP123E, ASP125A, ASP125E, ASP131A, ASP131E, ASP164A, ASP164E, ASP169A, ASP169E, ASP172A, ASP172E, CYS111A, CYS111E, GLU139A, GLU139E, GLU140A, GLU140E, GLU158A, GLU158E, GLU192A, GLU192E, GLY107A, GLY107E, GLY109A, GLY109E, GLY152A, GLY152E, GLY175A, GLY175E, GLY188A, GLY188E, GLY194A, GLY194E, HIS124A, HIS124E, ILE106A, ILE106E, ILE119A, ILE119E, ILE129A, ILE129E, ILE176A, ILE176E, LEU154A, LEU154E, LEU198A, LYS115A, LYS115E, LYS122A, LYS122E, LYS133A, LYS133E, LYS136A, LYS136E, LYS143A, LYS143E, LYS150A, LYS150E, LYS173A, LYS173E, MET108A, MET108E, MET134A, MET134E, MET167A, MET167E, MET171A, MET171E, PHE121A, PHE121E, PHE126A, PHE126E, PHE155A, PHE155E, PHE168A, PHE168E, PRO163A, PRO165A, PRO165E, SER114A, SER114E, SER156A, SER156E, SER166A, SER166E, THR112A, THR112E, THR162A, THR162E, TYR132A, TYR132E, TYR174A, TYR174E, TYR187A, TYR187E, TYR193A, TYR193E, VAL116A, VAL116E, VAL135A, VAL135E, VAL149A, VAL149E, VAL151A, VAL151E, VAL170A, VAL170E, VAL177A, VAL177E, VAL189A, VAL189E, VAL95A, VAL95E
• B-C: ARG118B, ARG118C, ASP123B, ASP123C, ASP125C, HIS124C, ILE119B, LEU159B, LYS115B, LYS122C, LYS173C, PHE121C, PRO163B, TYR174C, VAL116B
• B-D: ALA110B, ALA110D, ALA127B, ALA127D, ALA128B, ALA128D, ALA130B, ALA130D, ALA137B, ALA137D, ALA138B, ALA138D, ALA184B, ALA184D, ALA190B, ALA190D, ALA191B, ALA191D, ALA197D, ARG118B, ARG118D, ARG120B, ARG120D, ASN117B, ASN117D, ASN153B, ASN153D, ASP113B, ASP113D, ASP123B, ASP123D, ASP125B, ASP125D, ASP131B, ASP131D, ASP148B, ASP148D, ASP164B, ASP164D, ASP169B, ASP169D, ASP172B, ASP172D, CYS111B, CYS111D, GLU139B, GLU139D, GLU140B, GLU140D, GLU158D, GLU192B, GLU192D, GLY107B, GLY107D, GLY109B, GLY109D, GLY152B, GLY152D, GLY175B, GLY175D, GLY188B, GLY188D, GLY194B, GLY194D, HIS124B, HIS124D, ILE106B, ILE106D, ILE119B, ILE119D, ILE129B, ILE129D, ILE176B, ILE176D, LEU154B, LEU154D, LEU198D, LYS115B, LYS115D, LYS122B, LYS122D, LYS133B, LYS133D, LYS136B, LYS136D, LYS143B, LYS143D, LYS150B, LYS150D, LYS173B, LYS173D, LYS196B, MET108B, MET108D, MET134B, MET134D, MET167B, MET167D, MET171B, MET171D, PHE121B, PHE121D, PHE126B, PHE126D, PHE155B, PHE155D, PHE168B, PHE168D, PRO163B, PRO165B, PRO165D, SER114B, SER114D, SER156B, SER156D, SER166B, SER166D, THR112B, THR112D, THR162B, THR162D, TYR132B, TYR132D, TYR174B, TYR174D, TYR187B, TYR187D, TYR193B, TYR193D, VAL116B, VAL116D, VAL135B, VAL135D, VAL149B, VAL149D, VAL151B, VAL151D, VAL170B, VAL170D, VAL177B, VAL177D, VAL189B, VAL189D, VAL95B
• B-F: ALA157B, ALA157F, ALA26B, ALA26F, ARG118B, ARG118F, ARG120B, ARG120F, ARG25B, ARG25F, ARG44B, ARG44F, ARG88B, ARG88F, ASN117B, ASN117F, ASN45B, ASN45F, ASP113B, ASP113F, ASP123B, ASP123F, ASP164B, ASP164F, ASP22B, ASP22F, ASP42B, ASP42F, ASP80B, ASP80F, CYS70B, CYS70F, GLN39B, GLN39F, GLU158B, GLU158F, GLU182B, GLU182F, GLU192B, GLU192F, GLU76B, GLU76F, GLY185B, GLY185F, GLY188B, GLY188F, GLY21B, GLY21F, GLY64B, GLY64F, GLY66B, GLY66F, HIS5B, HIS5F, HIS63B, HIS63F, ILE119B, ILE119F, ILE67B, ILE67F, ILE6B, ILE6F, ILE72B, ILE72F, LEU159B, LEU159F, LEU24B, LEU24F, LEU77B, LEU77F, LYS115B, LYS115F, LYS122B, LYS122F, LYS27B, LYS27F, LYS79B, LYS79F, MET167B, MET167F, MET181B, MET181F, MET46B, MET46F, MET65B, MET65F, PHE121B, PHE121F, PHE155B, PHE155F, PHE160B, PHE160F, PHE47B, PHE47F, PRO163B, PRO163F, PRO20B, PRO20F, PRO23B, PRO23F, PRO4B, PRO4F, PRO68B, PRO68F, SER114B, SER114F, SER69B, SER69F, SER71B, SER71F, SER91B, SER91F, THR112B, THR112F, THR162B, THR162F, THR3B, THR3F, THR75B, THR75F, TYR161B, TYR161F, TYR193B, TYR193F, TYR49B, TYR49F, TYR73B, TYR73F, VAL116B, VAL116F, VAL189B, VAL189F, VAL43B, VAL43F, VAL74B, VAL74F
• C-E: ALA157C, ALA157E, ALA26C, ALA26E, ARG118C, ARG118E, ARG120C, ARG120E, ARG25C, ARG25E, ARG44C, ARG44E, ARG88C, ARG88E, ASN117C, ASN117E, ASN45C, ASN45E, ASN7C, ASN7E, ASP113C, ASP113E, ASP123C, ASP123E, ASP164C, ASP164E, ASP22C, ASP22E, ASP42C, ASP42E, ASP80C, ASP80E, CYS70C, CYS70E, GLN39C, GLN39E, GLU158C, GLU158E, GLU182C, GLU182E, GLU192C, GLU192E, GLU76C, GLU76E, GLY185C, GLY185E, GLY188C, GLY188E, GLY21C, GLY21E, GLY62C, GLY64C, GLY64E, GLY66C, GLY66E, GLY90C, GLY90E, HIS5C, HIS5E, HIS63C, HIS63E, ILE119C, ILE119E, ILE67C, ILE67E, ILE6C, ILE6E, ILE72C, ILE72E, LEU159C, LEU159E, LEU24C, LEU24E, LEU77C, LEU77E, LYS115C, LYS115E, LYS122C, LYS122E, LYS27C, LYS27E, LYS79C, LYS79E, MET167C, MET167E, MET181C, MET181E, MET46C, MET46E, MET61E, MET65C, MET65E, PHE121C, PHE121E, PHE155C, PHE155E, PHE160C, PHE160E, PHE47C, PHE47E, PRO163C, PRO163E, PRO20C, PRO20E, PRO23C, PRO23E, PRO4C, PRO4E, PRO68C, PRO68E, SER114C, SER114E, SER69C, SER69E, SER71C, SER71E, SER91C, SER91E, THR112C, THR112E, THR162C, THR162E, THR3C, THR3E, THR75C, THR75E, TYR161C, TYR161E, TYR193C, TYR193E, TYR49C, TYR49E, TYR73C, TYR73E, VAL116C, VAL116E, VAL189C, VAL189E, VAL43C, VAL43E, VAL74C, VAL74E
• C-F: ALA110C, ALA110F, ALA127C, ALA127F, ALA128C, ALA128F, ALA130C, ALA130F, ALA137C, ALA137F, ALA138C, ALA138F, ALA184C, ALA184F, ALA190C, ALA190F, ALA191C, ALA191F, ALA197C, ALA197F, ARG118C, ARG118F, ARG120C, ARG120F, ASN117C, ASN117F, ASN153C, ASN153F, ASP113C, ASP113F, ASP123C, ASP123F, ASP125C, ASP125F, ASP131C, ASP131F, ASP148C, ASP148F, ASP164C, ASP164F, ASP169C, ASP169F, ASP172C, ASP172F, CYS111C, CYS111F, GLU139C, GLU139F, GLU140C, GLU140F, GLU158C, GLU192C, GLU192F, GLY107C, GLY107F, GLY109C, GLY109F, GLY152C, GLY152F, GLY175C, GLY175F, GLY188C, GLY188F, GLY194C, GLY194F, HIS124C, HIS124F, ILE106C, ILE106F, ILE119C, ILE119F, ILE129C, ILE129F, ILE176C, ILE176F, LEU154C, LEU154F, LEU198C, LYS115C, LYS115F, LYS122C, LYS122F, LYS133C, LYS133F, LYS136C, LYS136F, LYS143C, LYS143F, LYS150C, LYS150F, LYS173C, LYS173F, MET108C, MET108F, MET134C, MET134F, MET167C, MET167F, MET171C, MET171F, PHE121C, PHE121F, PHE126C, PHE126F, PHE155C, PHE155F, PHE168C, PHE168F, PRO163F, PRO165C, PRO165F, SER114C, SER114F, SER156C, SER156F, SER166C, SER166F, THR112C, THR112F, THR162C, TYR132C, TYR132F, TYR174C, TYR174F, TYR187C, TYR187F, TYR193C, TYR193F, VAL116C, VAL116F, VAL135C, VAL135F, VAL149C, VAL149F, VAL151C, VAL151F, VAL170C, VAL170F, VAL177C, VAL177F, VAL189C, VAL189F, VAL95F
• D-E: ARG118D, ARG118E, ASP123D, ASP123E, ASP125E, HIS124E, ILE119D, LEU159D, LYS115D, LYS122E, LYS173E, PHE121E, PRO163D, TYR174E, VAL116D
• D-F: ARG118D, ARG118F, ASP123D, ASP123F, ASP125D, HIS124D, ILE119F, LEU159F, LYS115F, LYS122D, LYS173D, PHE121D, PRO163F, TYR174D, VAL116F
• E-F: ARG118E, ARG118F, ASP123E, ASP123F, ASP125F, HIS124F, ILE119E, LEU159E, LYS115E, LYS122F, LYS173F, PHE121F, PRO163E, TYR174F