1ZCC

crystal structure of glycerophosphodiester phosphodiesterase from agrobacterium tumefaciens str.c58

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: D-F
  • Int. Res.: 72
  • Norm. En. per Res.: -2.8963
• 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	-34.6117	-3.8971	-167.718	-206.2268	72	9	4	7309	1	27	19
A-C	-16.9787	4.1682	-179.954	-192.7645	74	5	4	7498	3	27	19
A-D	0.0	-49.9801	-61.9642	-111.9443	50	2	9	3633	4	24	12
A-E	0.0	-7.5732	-146.804	-154.3772	82	8	2	6396	1	28	35
B-C	-25.4508	-12.8411	-174.578	-212.8699	76	11	4	7399	2	27	19
B-E	0.0	-50.9743	-52.0773	-103.0516	51	0	9	3200	4	22	15
B-F	-4.6874	-8.8884	-130.109	-143.6848	81	6	2	5913	1	27	36
C-D	-12.3252	-9.0514	-133.391	-154.7675	78	13	2	5693	0	28	37
C-F	-2.549	-50.1887	-50.9538	-103.6915	49	1	9	3287	4	22	13
D-E	-13.1898	10.2428	-166.147	-169.094	71	5	4	7193	1	27	19
D-F	-24.5246	-5.4552	-178.556	-208.5358	72	4	4	7438	4	27	19
E-F	-17.6568	-0.7674	-173.887	-192.3113	73	6	4	7245	3	27	19

Interface residues

• A-B: ALA115B, ALA159A, ALA167A, ALA189A, ALA193A, ALA41B, ARG140A, ARG183A, ARG38B, ARG91B, ASP113B, ASP157A, ASP42B, CYS112B, GLN141A, GLN141B, GLN180A, GLU137A, GLU137B, GLU138B, GLU188A, GLU39B, GLU51B, GLU70B, GLY142B, GLY166A, GLY185A, GLY43B, GLY59B, GLY61B, GLY64B, HIS169A, HIS170A, HIS65B, ILE146B, ILE158A, ILE174A, ILE176A, ILE186A, ILE187A, ILE71B, LEU156A, LEU164A, LEU195A, LEU45B, LEU53B, LEU67B, LYS110B, LYS116B, LYS160A, LYS192A, MET139B, MET154A, MET66B, PRO114B, PRO162A, PRO184A, PRO62B, SER136B, SER161A, SER163A, SER190A, SER40B, SER68B, THR177A, THR52B, THR60B, TYR111B, VAL165A, VAL168A, VAL44B, VAL63B
• A-C: ALA115A, ALA159C, ALA167C, ALA189C, ALA193C, ALA41A, ARG140C, ARG183C, ARG38A, ASP113A, ASP157C, ASP42A, CYS112A, GLN141A, GLN141C, GLN180C, GLU137A, GLU137C, GLU138A, GLU188C, GLU39A, GLU51A, GLU70A, GLY142A, GLY166C, GLY185C, GLY43A, GLY59A, GLY61A, GLY64A, HIS169C, HIS170C, HIS65A, ILE146A, ILE158C, ILE174C, ILE176C, ILE186C, ILE187C, ILE71A, LEU109A, LEU156C, LEU164C, LEU45A, LEU53A, LEU67A, LEU74A, LYS110A, LYS116A, LYS160C, LYS192C, MET139A, MET154C, MET66A, PRO114A, PRO162C, PRO184C, PRO62A, SER136A, SER161C, SER163C, SER190C, SER40A, SER68A, SER69A, THR155C, THR177C, THR52A, THR60A, TYR111A, VAL165C, VAL168C, VAL44A, VAL63A
• A-D: ALA115A, ALA115D, ALA118A, ALA118D, ALA119A, ALA119D, ALA147A, ALA147D, ARG122A, ARG122D, ARG91A, ARG91D, ASP113A, ASP113D, ASP42A, ASP42D, ASP93A, ASP93D, GLU39A, GLU39D, GLY125A, GLY125D, GLY142A, GLY142D, GLY43A, GLY43D, HIS123A, HIS123D, ILE146A, ILE146D, LEU120A, LEU120D, LEU124A, LEU124D, LEU45A, LEU45D, LYS116A, LYS116D, PRO114A, PRO114D, PRO148A, PRO148D, SER145A, SER145D, VAL117A, VAL117D, VAL121A, VAL121D, VAL44A, VAL44D
• A-E: ALA118A, ALA118E, ALA119A, ALA119E, ALA147A, ALA147E, ALA167A, ALA167E, ALA171A, ALA171E, ALA189E, ALA193A, ALA193E, ARG100A, ARG100E, ARG122A, ARG122E, ARG128A, ARG128E, ARG151A, ARG151E, ARG152A, ARG152E, ARG191A, ARG191E, ASP129A, ASP129E, ASP218A, GLN144A, GLN144E, GLU149A, GLU149E, GLU196A, GLU196E, GLY125A, GLY125E, GLY166A, GLY166E, GLY194A, GLY194E, HIS123A, HIS123E, HIS169A, HIS169E, HIS170A, HIS170E, ILE146A, ILE146E, ILE173A, ILE173E, ILE197A, LEU124A, LEU124E, LEU164A, LEU164E, LEU195A, LEU195E, LYS192A, LYS192E, MET126A, MET126E, PHE150A, PHE150E, PRO148A, PRO148E, SER145A, SER145E, SER163A, SER163E, SER172A, SER172E, SER190A, SER190E, TYR219A, VAL121A, VAL121E, VAL127A, VAL127E, VAL165A, VAL165E, VAL168A, VAL168E
• B-C: ALA115C, ALA159B, ALA167B, ALA179B, ALA189B, ALA193B, ALA41C, ARG140B, ARG183B, ARG191B, ARG38C, ASP113C, ASP157B, ASP42C, CYS112C, GLN141B, GLN141C, GLN180B, GLU137B, GLU137C, GLU138C, GLU188B, GLU39C, GLU51C, GLU70C, GLY142C, GLY166B, GLY185B, GLY43C, GLY59C, GLY61C, GLY64C, HIS169B, HIS170B, HIS65C, ILE146C, ILE158B, ILE174B, ILE176B, ILE186B, ILE187B, ILE71C, LEU156B, LEU164B, LEU195B, LEU45C, LEU53C, LEU67C, LEU74C, LYS110C, LYS116C, LYS160B, LYS192B, MET139C, MET154B, MET66C, PRO114C, PRO162B, PRO184B, PRO62C, SER136C, SER145C, SER161B, SER163B, SER190B, SER40C, SER68C, SER69C, THR177B, THR52C, THR60C, TYR111C, VAL165B, VAL168B, VAL44C, VAL63C
• B-E: ALA115B, ALA115E, ALA118B, ALA118E, ALA119B, ALA119E, ALA147B, ALA147E, ARG122B, ARG122E, ARG91B, ARG91E, ASP113B, ASP113E, ASP42B, ASP42E, ASP93B, GLU39B, GLU39E, GLY125B, GLY125E, GLY142B, GLY142E, GLY43B, GLY43E, HIS123B, HIS123E, ILE146B, ILE146E, LEU120B, LEU120E, LEU124B, LEU124E, LEU45B, LEU45E, LYS116B, LYS116E, PHE150B, PRO114B, PRO114E, PRO148B, PRO148E, SER145B, SER145E, VAL117B, VAL117E, VAL121B, VAL121E, VAL127B, VAL44B, VAL44E
• B-F: ALA118B, ALA118F, ALA119B, ALA119F, ALA147B, ALA147F, ALA167B, ALA167F, ALA171B, ALA171F, ALA189B, ALA193B, ALA193F, ARG100B, ARG100F, ARG122B, ARG122F, ARG128B, ARG128F, ARG151B, ARG151F, ARG152B, ARG152F, ARG191B, ARG191F, ASP129B, ASP129F, ASP218B, GLN144B, GLN144F, GLU149B, GLU149F, GLU196B, GLU196F, GLY125B, GLY125F, GLY166B, GLY166F, GLY194B, GLY194F, HIS123B, HIS123F, HIS169B, HIS169F, HIS170B, HIS170F, ILE146B, ILE146F, ILE173B, ILE173F, ILE197B, LEU124B, LEU124F, LEU164B, LEU164F, LEU195B, LEU195F, LYS192B, LYS192F, MET126B, MET126F, PHE150B, PHE150F, PRO148B, PRO148F, SER145B, SER145F, SER163B, SER163F, SER172B, SER172F, SER190B, TYR219B, VAL121B, VAL121F, VAL127B, VAL127F, VAL165B, VAL165F, VAL168B, VAL168F
• C-D: ALA118C, ALA118D, ALA119C, ALA119D, ALA147C, ALA147D, ALA167C, ALA167D, ALA171C, ALA171D, ALA189D, ALA193C, ALA193D, ARG100C, ARG100D, ARG122C, ARG122D, ARG128C, ARG128D, ARG151C, ARG151D, ARG152C, ARG152D, ARG191C, ARG191D, ASP129C, ASP129D, GLN144C, GLN144D, GLU149C, GLU149D, GLY125C, GLY125D, GLY166C, GLY166D, GLY194C, GLY194D, HIS123C, HIS123D, HIS169C, HIS169D, HIS170C, HIS170D, ILE146C, ILE146D, ILE173C, ILE173D, LEU120C, LEU120D, LEU124C, LEU124D, LEU164C, LEU164D, LEU195C, LEU195D, LYS192C, LYS192D, MET126C, MET126D, PHE150C, PHE150D, PRO148C, PRO148D, SER145C, SER145D, SER163C, SER163D, SER172C, SER172D, SER190D, VAL121C, VAL121D, VAL127C, VAL127D, VAL165C, VAL165D, VAL168C, VAL168D
• C-F: ALA115C, ALA115F, ALA118C, ALA118F, ALA119C, ALA119F, ALA147C, ALA147F, ARG122C, ARG122F, ARG91C, ARG91F, ASP113C, ASP113F, ASP42C, ASP42F, CYS112F, GLU39C, GLU39F, GLY125C, GLY125F, GLY142C, GLY142F, GLY43C, GLY43F, HIS123C, HIS123F, ILE146C, ILE146F, LEU120C, LEU120F, LEU124C, LEU124F, LEU45C, LEU45F, LYS116C, LYS116F, PRO114C, PRO114F, PRO148C, PRO148F, SER145C, SER145F, VAL117C, VAL117F, VAL121C, VAL121F, VAL44C, VAL44F
• D-E: ALA115D, ALA159E, ALA167E, ALA189E, ALA193E, ALA41D, ARG140E, ARG183E, ARG38D, ASP113D, ASP157E, ASP42D, CYS112D, GLN141D, GLN141E, GLN180E, GLU137D, GLU137E, GLU138D, GLU188E, GLU39D, GLU51D, GLU70D, GLY142D, GLY166E, GLY185E, GLY43D, GLY59D, GLY61D, GLY64D, HIS169E, HIS170E, HIS65D, ILE146D, ILE158E, ILE174E, ILE176E, ILE186E, ILE187E, ILE71D, LEU156E, LEU164E, LEU45D, LEU53D, LEU67D, LYS110D, LYS116D, LYS160E, LYS192E, MET139D, MET154E, MET66D, PRO114D, PRO162E, PRO184E, PRO62D, SER136D, SER161E, SER163E, SER190E, SER40D, SER68D, SER69D, THR177E, THR52D, THR60D, TYR111D, VAL165E, VAL168E, VAL44D, VAL63D
• D-F: ALA115F, ALA159D, ALA167D, ALA179D, ALA189D, ALA193D, ALA41F, ARG140D, ARG183D, ARG38F, ASP113F, ASP157D, ASP42F, CYS112F, GLN141D, GLN141F, GLN180D, GLU137D, GLU137F, GLU138F, GLU188D, GLU39F, GLU51F, GLU70F, GLY142F, GLY166D, GLY185D, GLY43F, GLY59F, GLY61F, GLY64F, HIS169D, HIS170D, HIS65F, ILE146F, ILE158D, ILE176D, ILE186D, ILE187D, ILE71F, LEU109F, LEU156D, LEU164D, LEU45F, LEU53F, LEU67F, LYS110F, LYS116F, LYS160D, LYS192D, MET139F, MET154D, MET66F, PRO114F, PRO162D, PRO184D, PRO62F, SER136F, SER145F, SER161D, SER163D, SER190D, SER40F, SER68F, THR177D, THR52F, THR60F, TYR111F, VAL165D, VAL168D, VAL44F, VAL63F
• E-F: ALA115E, ALA159F, ALA167F, ALA179F, ALA189F, ALA193F, ALA41E, ARG140F, ARG183F, ARG38E, ASP113E, ASP157F, ASP42E, CYS112E, GLN141E, GLN141F, GLN180F, GLU137E, GLU137F, GLU138E, GLU188F, GLU39E, GLU51E, GLU70E, GLY142E, GLY166F, GLY185F, GLY43E, GLY59E, GLY61E, GLY64E, HIS169F, HIS170F, HIS65E, ILE146E, ILE158F, ILE176F, ILE186F, ILE187F, ILE71E, LEU109E, LEU156F, LEU164F, LEU45E, LEU53E, LEU67E, LEU74E, LYS110E, LYS116E, LYS160F, LYS192F, MET139E, MET154F, MET66E, PRO114E, PRO162F, PRO184F, PRO62E, SER136E, SER161F, SER163F, SER190F, SER40E, SER68E, SER69E, THR177F, THR52E, THR60E, TYR111E, VAL165F, VAL168F, VAL44E, VAL63E