2A1F

crystal structure of uridylate kinase

• Total interactions analyzed: 15
• Total true interactions: 15
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 135
  • Norm. En. per Res.: -2.7096
• 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	-14.7995	-14.9564	-331.77	-361.5259	137	3	13	15724	0	28	17
A-C	-9.0966	13.0643	-36.5949	-32.6272	37	2	0	1794	0	8	9
A-D	0.0	0.0	-0.5787	-0.5787	4	0	0	57	0	0	0
A-E	-16.8881	15.0063	-35.262	-37.1437	37	6	0	1955	1	8	9
A-F	-5.2285	32.2819	-175.345	-148.2917	86	7	6	7984	0	18	14
B-C	0.0	32.777	-178.537	-145.76	87	5	6	7921	0	18	14
B-D	-6.0414	13.602	-39.5829	-32.0223	37	1	0	1841	0	9	9
B-E	0.0	0.0	-0.5384	-0.5384	4	0	0	57	0	0	0
B-F	-10.519	13.9247	-36.7947	-33.389	35	1	0	1818	0	7	9
C-D	-26.4586	-6.3894	-324.0	-356.848	135	6	13	15268	0	28	17
C-E	-9.9883	13.1874	-35.915	-32.7158	35	3	0	1836	0	7	9
C-F	0.0	0.0	-0.524	-0.524	4	0	0	52	0	0	0
D-E	0.0	31.9694	-174.472	-142.5026	87	3	6	7878	0	18	13
D-F	-10.2414	13.0324	-35.6717	-32.8807	36	4	0	1967	1	8	9
E-F	-24.1067	-13.4466	-328.241	-365.7943	135	4	13	15589	0	28	17

Interface residues

• A-B: ALA104A, ALA104B, ALA133A, ALA133B, ALA29A, ALA29B, ALA61A, ALA61B, ALA64A, ALA64B, ALA66A, ALA66B, ALA80A, ALA80B, ALA87A, ALA87B, ARG59A, ARG59B, ARG70A, ARG70B, ARG89A, ARG89B, ARG94A, ARG94B, ASN108A, ASN108B, ASN137A, ASN137B, ASN56A, ASN56B, ASN69A, ASN69B, ASN84A, ASN84B, ASP22A, ASP22B, ASP27A, ASP27B, ASP32A, ASP32B, ASP74A, ASP74B, ASP90A, ASP90B, CYS111A, CYS111B, GLN106A, GLN106B, GLN19A, GLN19B, GLU21A, GLU21B, GLY109A, GLY109B, GLY136A, GLY136B, GLY20A, GLY20B, GLY23A, GLY23B, GLY25A, GLY25B, GLY54A, GLY54B, GLY60A, GLY60B, GLY67A, GLY67B, GLY73A, GLY73B, GLY77A, GLY77B, GLY85A, GLY85B, HIS75A, HIS75B, ILE110A, ILE110B, ILE26A, ILE26B, LEU101A, LEU101B, LEU107A, LEU107B, LEU18A, LEU18B, LEU24A, LEU24B, LEU31A, LEU31B, LEU57A, LEU57B, LEU63A, LEU63B, LEU79A, LEU79B, LEU86A, LEU86B, LYS62A, LYS62B, LYS65A, LYS65B, MET68A, MET68B, MET76A, MET76B, MET78A, MET78B, MET83A, MET83B, MET88A, MET88B, PHE105A, PHE105B, PHE58A, PHE58B, PHE93A, PHE93B, PRO138A, PRO138B, PRO28A, PRO28B, SER103A, SER103B, SER132A, SER132B, SER91A, SER91B, THR113B, THR81A, THR81B, VAL71A, VAL71B, VAL72A, VAL72B, VAL82A, VAL82B
• A-C: ALA104C, ALA99A, ARG124C, ARG127A, ARG149C, ARG89A, ASN108A, ASN108C, ASN115C, ASN98A, ASP112A, ASP90A, CYS111A, GLN106A, GLN106C, GLU118C, GLU125C, GLU154C, GLY109A, ILE110A, ILE120C, LEU101A, LEU107A, LEU107C, LEU86A, LYS100A, LYS121C, MET102C, MET122A, PHE105C, PHE93A, SER103C, SER117C, THR113A, THR113C, TRP116C, TYR114C
• A-D: ASN108A, ASN108D, GLN106A, GLN106D
• A-E: ALA104A, ALA99E, ARG124A, ARG127E, ARG149A, ARG89E, ASN108A, ASN108E, ASN115A, ASN98E, ASP112E, ASP90E, CYS111E, GLN106A, GLN106E, GLU118A, GLU152A, GLU154A, GLY109E, ILE110E, ILE120A, LEU101E, LEU107A, LEU107E, LEU86E, LYS100E, LYS121A, MET102A, MET122E, PHE105A, PHE93E, SER103A, SER117A, THR113A, THR113E, TRP116A, TYR114A
• A-F: ALA104A, ALA104F, ALA201A, ALA201F, ARG149A, ARG149F, ARG206A, ARG206F, ARG70A, ARG70F, ASN115A, ASN115F, ASN137A, ASN137F, ASN69A, ASN69F, ASP198A, ASP198F, ASP207A, ASP207F, ASP74A, ASP74F, CYS147A, CYS147F, GLN106A, GLN106F, GLU152A, GLU152F, GLU154A, GLU154F, GLY134A, GLY134F, GLY136A, GLY136F, GLY150A, GLY150F, GLY73A, GLY73F, HIS208A, HIS208F, HIS75A, HIS75F, ILE120A, ILE120F, ILE151A, ILE151F, ILE153A, ILE153F, ILE190A, ILE190F, LEU148A, LEU148F, LEU199A, LEU199F, LEU204A, LEU204F, MET78A, MET78F, PHE139A, PHE139F, PHE140A, PHE140F, PHE202A, PHE202F, PRO138A, PRO138F, SER117A, SER117F, SER144A, SER144F, SER200A, SER200F, THR135A, THR135F, THR145A, THR145F, THR203A, THR203F, TRP116A, TRP116F, TYR114A, TYR114F, VAL71A, VAL71F, VAL72A, VAL72F
• B-C: ALA104B, ALA104C, ALA201B, ALA201C, ARG149B, ARG149C, ARG206B, ARG206C, ARG70B, ARG70C, ASN115B, ASN115C, ASN137B, ASN137C, ASN69B, ASN69C, ASP198B, ASP198C, ASP207B, ASP207C, ASP74B, ASP74C, CYS147B, CYS147C, GLN106B, GLN106C, GLU152B, GLU152C, GLU154B, GLU154C, GLY134B, GLY134C, GLY136B, GLY136C, GLY150B, GLY150C, GLY73B, GLY73C, HIS208B, HIS208C, HIS75B, HIS75C, ILE120B, ILE120C, ILE151B, ILE151C, ILE153B, ILE153C, ILE190B, ILE190C, LEU148B, LEU148C, LEU199B, LEU199C, LEU204B, LEU204C, MET68C, MET78B, MET78C, PHE139B, PHE139C, PHE140B, PHE140C, PHE202B, PHE202C, PRO138B, PRO138C, SER117B, SER117C, SER144B, SER144C, SER200B, SER200C, THR135B, THR135C, THR145B, THR145C, THR203B, THR203C, TRP116B, TRP116C, TYR114B, TYR114C, VAL71B, VAL71C, VAL72B, VAL72C
• B-D: ALA104B, ALA99D, ARG124B, ARG127D, ARG149B, ARG89D, ASN108B, ASN108D, ASN115B, ASN98D, ASP112D, ASP90D, CYS111D, GLN106B, GLN106D, GLU118B, GLU125B, GLU154B, GLY109D, ILE110D, ILE120B, LEU101D, LEU107B, LEU107D, LEU86D, LYS100D, LYS121B, MET102B, MET122D, PHE105B, PHE93D, SER103B, SER117B, THR113B, THR113D, TRP116B, TYR114B
• B-E: ASN108B, ASN108E, GLN106B, GLN106E
• B-F: ALA104F, ALA99B, ARG124F, ARG127B, ARG149F, ARG89B, ASN108B, ASN108F, ASN115F, ASN98B, ASP112B, ASP90B, CYS111B, GLN106B, GLN106F, GLU118F, GLU125F, GLU154F, GLY109B, ILE110B, ILE120F, LEU101B, LEU107B, LEU107F, LEU86B, LYS100B, LYS121F, PHE105F, PHE93B, SER103F, SER117F, THR113B, THR113F, TRP116F, TYR114F
• C-D: ALA104C, ALA104D, ALA133C, ALA133D, ALA29C, ALA29D, ALA61C, ALA61D, ALA64C, ALA64D, ALA66C, ALA66D, ALA80C, ALA80D, ALA87C, ALA87D, ARG59C, ARG59D, ARG70C, ARG70D, ARG89C, ARG89D, ARG94C, ARG94D, ASN108C, ASN108D, ASN137C, ASN137D, ASN56C, ASN56D, ASN69C, ASN69D, ASN84C, ASN84D, ASP22C, ASP22D, ASP27C, ASP27D, ASP32C, ASP32D, ASP74C, ASP74D, ASP90C, ASP90D, CYS111C, CYS111D, GLN106C, GLN106D, GLN19C, GLN19D, GLY109C, GLY109D, GLY136C, GLY136D, GLY20C, GLY23C, GLY23D, GLY25C, GLY25D, GLY54C, GLY54D, GLY60C, GLY60D, GLY67C, GLY67D, GLY73C, GLY73D, GLY77C, GLY77D, GLY85C, GLY85D, HIS75C, HIS75D, ILE110C, ILE110D, ILE26C, ILE26D, LEU101C, LEU101D, LEU107C, LEU107D, LEU18C, LEU18D, LEU24C, LEU24D, LEU31C, LEU31D, LEU57C, LEU57D, LEU63C, LEU63D, LEU79C, LEU79D, LEU86C, LEU86D, LYS62C, LYS62D, LYS65C, LYS65D, MET68C, MET68D, MET76C, MET76D, MET78C, MET78D, MET83C, MET83D, MET88C, MET88D, PHE105C, PHE105D, PHE58C, PHE58D, PHE93C, PHE93D, PRO138C, PRO138D, PRO28C, PRO28D, SER103C, SER103D, SER132C, SER132D, SER91C, SER91D, THR113C, THR113D, THR81C, THR81D, VAL71C, VAL71D, VAL72C, VAL72D, VAL82C, VAL82D
• C-E: ALA104E, ALA99C, ARG124E, ARG127C, ARG149E, ARG89C, ASN108C, ASN108E, ASN115E, ASN98C, ASP112C, ASP90C, CYS111C, GLN106C, GLN106E, GLU118E, GLU125E, GLU154E, GLY109C, ILE110C, ILE120E, LEU101C, LEU107C, LEU107E, LEU86C, LYS100C, LYS121E, PHE105E, PHE93C, SER103E, SER117E, THR113C, THR113E, TRP116E, TYR114E
• C-F: ASN108C, ASN108F, GLN106C, GLN106F
• D-E: ALA104D, ALA104E, ALA201D, ALA201E, ARG149D, ARG149E, ARG206D, ARG206E, ARG70D, ARG70E, ASN115D, ASN115E, ASN137D, ASN137E, ASN69D, ASN69E, ASP198D, ASP198E, ASP207D, ASP207E, ASP74D, ASP74E, CYS147D, CYS147E, GLN106D, GLN106E, GLU152D, GLU152E, GLU154D, GLU154E, GLY134D, GLY134E, GLY136D, GLY136E, GLY150D, GLY150E, GLY73D, GLY73E, HIS208D, HIS208E, HIS75D, HIS75E, ILE120D, ILE120E, ILE151D, ILE151E, ILE153D, ILE153E, ILE190D, ILE190E, LEU148D, LEU148E, LEU199D, LEU199E, LEU204D, LEU204E, MET78D, MET78E, PHE139D, PHE139E, PHE140D, PHE140E, PHE202D, PHE202E, PRO138D, PRO138E, SER117D, SER117E, SER144D, SER144E, SER200D, SER200E, THR135D, THR135E, THR141E, THR145D, THR145E, THR203D, THR203E, TRP116D, TRP116E, TYR114D, TYR114E, VAL71D, VAL71E, VAL72D, VAL72E
• D-F: ALA104D, ALA99F, ARG124D, ARG127F, ARG149D, ARG89F, ASN108D, ASN108F, ASN115D, ASN98F, ASP112F, ASP90F, CYS111F, GLN106D, GLN106F, GLU118D, GLU152D, GLU154D, GLY109F, ILE110F, ILE120D, LEU101F, LEU107D, LEU107F, LEU86F, LYS100F, LYS121D, MET122F, PHE105D, PHE93F, SER103D, SER117D, THR113D, THR113F, TRP116D, TYR114D
• E-F: ALA104E, ALA104F, ALA133E, ALA133F, ALA29E, ALA29F, ALA61E, ALA61F, ALA64E, ALA64F, ALA66E, ALA66F, ALA80E, ALA80F, ALA87E, ALA87F, ARG59E, ARG59F, ARG70E, ARG70F, ARG89E, ARG89F, ARG94E, ARG94F, ASN108E, ASN108F, ASN137E, ASN137F, ASN56E, ASN56F, ASN69E, ASN69F, ASN84E, ASN84F, ASP22E, ASP22F, ASP27E, ASP27F, ASP32E, ASP32F, ASP74E, ASP74F, ASP90E, ASP90F, CYS111E, CYS111F, GLN106E, GLN106F, GLN19E, GLU21E, GLY109E, GLY109F, GLY136E, GLY136F, GLY20E, GLY20F, GLY23E, GLY23F, GLY25E, GLY25F, GLY54E, GLY54F, GLY60E, GLY60F, GLY67E, GLY67F, GLY73E, GLY73F, GLY77E, GLY77F, GLY85E, GLY85F, HIS75E, HIS75F, ILE110E, ILE110F, ILE26E, ILE26F, LEU101E, LEU101F, LEU107E, LEU107F, LEU18E, LEU18F, LEU24E, LEU24F, LEU31E, LEU31F, LEU57E, LEU57F, LEU63E, LEU63F, LEU79E, LEU79F, LEU86E, LEU86F, LYS62E, LYS62F, LYS65E, LYS65F, MET68E, MET68F, MET76E, MET76F, MET78E, MET78F, MET83E, MET83F, MET88E, MET88F, PHE105E, PHE105F, PHE58E, PHE58F, PHE93E, PHE93F, PRO138E, PRO138F, PRO28E, PRO28F, SER103E, SER103F, SER132E, SER132F, SER91E, SER91F, THR113F, THR81E, THR81F, VAL71E, VAL71F, VAL72E, VAL72F, VAL82E, VAL82F