2V4Y

the structure of e. coli ump kinase in complex with its allosteric regulator gtp

• Total interactions analyzed: 15
• Total true interactions: 15
• Strongest Interaction:
  • Chains: C-E
  • Int. Res.: 134
  • Norm. En. per Res.: -2.8938
• 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	0.0	5.1089	-22.0876	-16.9788	32	0	0	1180	0	7	8
A-C	0.0	0.0	-0.0473	-0.0473	2	0	0	14	0	0	0
A-D	-8.157	27.6055	-217.423	-197.9745	88	3	9	9223	0	20	21
A-E	0.0	5.3043	-23.5844	-18.2801	30	1	0	1171	0	6	7
A-F	-6.1674	-1.0089	-312.875	-320.0512	132	0	19	14704	0	18	17
B-C	-7.3463	33.5183	-221.169	-194.997	88	6	9	9289	0	20	21
B-D	-19.6006	-0.5031	-339.504	-359.6077	132	1	19	15341	0	19	17
B-E	0.0	4.9744	-21.2883	-16.3139	31	0	0	1086	0	7	7
B-F	0.0	0.0	-0.0139	-0.0139	2	0	0	6	0	0	0
C-D	0.0	5.0904	-22.785	-17.6946	31	0	0	1141	0	6	7
C-E	-25.9003	-1.0357	-360.839	-387.7749	134	13	19	15977	0	18	17
C-F	0.0	5.0979	-23.6735	-18.5756	31	0	0	1150	0	7	7
D-E	0.0	0.0	-0.0334	-0.0334	2	0	0	12	0	0	0
D-F	0.0	4.7869	-18.5195	-13.7326	29	0	0	981	0	6	7
E-F	-7.1798	33.0249	-220.489	-194.6438	88	4	9	9253	0	20	20

Interface residues

• A-B: ALA102B, ALA107A, ALA120A, ARG103B, ARG127A, ARG130B, ARG152A, ARG92B, ASN101B, ASN111B, ASN128A, ASP115A, ASP115B, ASP93B, CYS114B, GLU121A, GLU155A, GLY112B, HIS96B, ILE108A, LEU104B, LEU110A, LEU110B, LEU89B, PRO109A, SER106A, SER116A, SER118A, SER124A, TRP119A, TYR117A, VAL113B
• A-C: ASN111A, ASN111C
• A-D: ALA107A, ALA107D, ALA120A, ALA120D, ALA148A, ALA148D, ALA203A, ALA203D, ALA204A, ALA204D, ARG152A, ARG152D, ARG209A, ARG209D, ARG73A, ARG73D, ASN140A, ASN140D, ASN72A, ASN72D, ASP201A, ASP201D, ASP210A, ASP210D, ASP77A, ASP77D, CYS150A, CYS150D, GLU155A, GLU155D, GLU157A, GLU157D, GLY137A, GLY137D, GLY139A, GLY139D, GLY153A, GLY153D, GLY76A, GLY76D, HIS211A, HIS211D, HIS78A, HIS78D, ILE123A, ILE123D, ILE154A, ILE154D, ILE156A, ILE156D, LEU151A, LEU151D, LEU193A, LEU193D, LEU202A, LEU202D, LEU207A, LEU207D, MET81A, MET81D, PHE142A, PHE142D, PHE143A, PHE143D, PHE205A, PHE205D, PRO109A, PRO109D, PRO141A, PRO141D, SER118A, SER118D, SER147A, SER147D, THR138A, THR138D, THR144A, THR144D, THR206A, THR206D, TRP119A, TRP119D, TYR117A, TYR117D, VAL74A, VAL74D, VAL75A, VAL75D
• A-E: ALA102A, ALA107E, ALA120E, ARG103A, ARG127E, ARG130A, ARG152E, ARG92A, ASN101A, ASN111A, ASN128E, ASP115A, ASP115E, ASP93A, CYS114A, GLU121E, GLY112A, HIS96A, ILE108E, LEU110A, LEU110E, LEU89A, PRO109E, SER106E, SER116E, SER118E, SER124E, TRP119E, TYR117E, VAL113A
• A-F: ALA107A, ALA107F, ALA136A, ALA136F, ALA31A, ALA31F, ALA64A, ALA64F, ALA67A, ALA67F, ALA69A, ALA69F, ALA83A, ALA83F, ALA90A, ALA90F, ALA94A, ALA94F, ARG62A, ARG62F, ARG73A, ARG73F, ARG92A, ARG92F, ARG97A, ARG97F, ASN111A, ASN111F, ASN140A, ASN140F, ASN59A, ASN59F, ASN72A, ASN72F, ASN87A, ASN87F, ASP30A, ASP30F, ASP35A, ASP35F, ASP77A, ASP77F, ASP93A, ASP93F, CYS114A, CYS114F, GLU25A, GLU25F, GLY112A, GLY112F, GLY139A, GLY139F, GLY26A, GLY26F, GLY28A, GLY28F, GLY57A, GLY57F, GLY63A, GLY63F, GLY65A, GLY65F, GLY70A, GLY70F, GLY76A, GLY76F, GLY80A, GLY80F, GLY88A, GLY88F, HIS78A, HIS78F, HIS96A, HIS96F, ILE108A, ILE108F, ILE29A, ILE29F, ILE33A, ILE33F, LEU104A, LEU104F, LEU110A, LEU110F, LEU21A, LEU21F, LEU34A, LEU34F, LEU60A, LEU60F, LEU66A, LEU66F, LEU82A, LEU82F, LEU89A, LEU89F, LYS68A, LYS68F, MET71A, MET71F, MET79A, MET79F, MET81A, MET81F, MET86A, MET86F, MET91A, MET91F, PHE27A, PHE27F, PHE61A, PHE61F, PRO109A, PRO109F, PRO141A, PRO141F, SER106A, SER106F, SER135A, SER135F, SER32A, SER32F, THR84A, THR84F, VAL113A, VAL113F, VAL74A, VAL74F, VAL75A, VAL75F, VAL85A, VAL85F
• B-C: ALA107B, ALA107C, ALA120B, ALA120C, ALA148B, ALA148C, ALA203B, ALA203C, ALA204B, ALA204C, ARG152B, ARG152C, ARG209B, ARG209C, ARG73B, ARG73C, ASN140B, ASN140C, ASN72B, ASN72C, ASP201B, ASP201C, ASP210B, ASP210C, ASP77B, ASP77C, CYS150B, CYS150C, GLU155B, GLU155C, GLU157B, GLU157C, GLY137B, GLY137C, GLY139B, GLY139C, GLY153B, GLY153C, GLY76B, GLY76C, HIS211B, HIS211C, HIS78B, HIS78C, ILE123B, ILE123C, ILE154B, ILE154C, ILE156B, ILE156C, LEU151B, LEU151C, LEU193B, LEU193C, LEU202B, LEU202C, LEU207B, LEU207C, MET81B, MET81C, PHE142B, PHE142C, PHE143B, PHE143C, PHE205B, PHE205C, PRO109B, PRO109C, PRO141B, PRO141C, SER118B, SER118C, SER147B, SER147C, THR138B, THR138C, THR144B, THR144C, THR206B, THR206C, TRP119B, TRP119C, TYR117B, TYR117C, VAL74B, VAL74C, VAL75B, VAL75C
• B-D: ALA107B, ALA107D, ALA136B, ALA136D, ALA31B, ALA31D, ALA64B, ALA64D, ALA67B, ALA67D, ALA69B, ALA69D, ALA83B, ALA83D, ALA90B, ALA90D, ALA94B, ALA94D, ARG62B, ARG62D, ARG73B, ARG73D, ARG92B, ARG92D, ARG97B, ARG97D, ASN111B, ASN111D, ASN140B, ASN140D, ASN59B, ASN59D, ASN72B, ASN72D, ASN87B, ASN87D, ASP30B, ASP30D, ASP35B, ASP35D, ASP77B, ASP77D, ASP93B, ASP93D, CYS114B, CYS114D, GLU25B, GLU25D, GLY112B, GLY112D, GLY139B, GLY139D, GLY26B, GLY26D, GLY28B, GLY28D, GLY57B, GLY57D, GLY63B, GLY63D, GLY65B, GLY65D, GLY70B, GLY70D, GLY76B, GLY76D, GLY80B, GLY80D, GLY88B, GLY88D, HIS78B, HIS78D, HIS96B, HIS96D, ILE108B, ILE108D, ILE29B, ILE29D, ILE33B, ILE33D, LEU104B, LEU104D, LEU110B, LEU110D, LEU21B, LEU21D, LEU34B, LEU34D, LEU60B, LEU60D, LEU66B, LEU66D, LEU82B, LEU82D, LEU89B, LEU89D, LYS68B, LYS68D, MET71B, MET71D, MET79B, MET79D, MET81B, MET81D, MET86B, MET86D, MET91B, MET91D, PHE27B, PHE27D, PHE61B, PHE61D, PRO109B, PRO109D, PRO141B, PRO141D, SER106B, SER106D, SER135B, SER135D, SER32B, SER32D, THR84B, THR84D, VAL113B, VAL113D, VAL74B, VAL74D, VAL75B, VAL75D, VAL85B, VAL85D
• B-E: ALA102E, ALA107B, ALA120B, ARG103E, ARG127B, ARG130E, ARG152B, ARG92E, ASN101E, ASN111E, ASN128B, ASP115B, ASP115E, ASP93E, CYS114E, GLU121B, GLU155B, GLY112E, HIS96E, ILE108B, LEU110B, LEU110E, LEU89E, PRO109B, SER106B, SER116B, SER118B, SER124B, TRP119B, TYR117B, VAL113E
• B-F: ASN111B, ASN111F
• C-D: ALA102D, ALA107C, ALA120C, ARG103D, ARG127C, ARG130D, ARG152C, ARG92D, ASN101D, ASN111D, ASN128C, ASP115C, ASP115D, ASP93D, CYS114D, GLU121C, GLU155C, GLY112D, HIS96D, ILE108C, LEU110C, LEU110D, LEU89D, PRO109C, SER106C, SER116C, SER118C, SER124C, TRP119C, TYR117C, VAL113D
• C-E: ALA107C, ALA107E, ALA136C, ALA136E, ALA31C, ALA31E, ALA64C, ALA64E, ALA67C, ALA67E, ALA69C, ALA69E, ALA83C, ALA83E, ALA90C, ALA90E, ALA94C, ALA94E, ARG62C, ARG62E, ARG73C, ARG73E, ARG92C, ARG92E, ARG97C, ARG97E, ASN111C, ASN111E, ASN140C, ASN140E, ASN59C, ASN59E, ASN72C, ASN72E, ASN87C, ASN87E, ASP30C, ASP30E, ASP35C, ASP35E, ASP77C, ASP77E, ASP93C, ASP93E, CYS114C, CYS114E, GLU25C, GLU25E, GLY112C, GLY112E, GLY139C, GLY139E, GLY26C, GLY26E, GLY28C, GLY28E, GLY57C, GLY57E, GLY58C, GLY58E, GLY63C, GLY63E, GLY65C, GLY65E, GLY70C, GLY70E, GLY76C, GLY76E, GLY80C, GLY80E, GLY88C, GLY88E, HIS78C, HIS78E, HIS96C, HIS96E, ILE108C, ILE108E, ILE29C, ILE29E, ILE33C, ILE33E, LEU104C, LEU104E, LEU110C, LEU110E, LEU21C, LEU21E, LEU34C, LEU34E, LEU60C, LEU60E, LEU66C, LEU66E, LEU82C, LEU82E, LEU89C, LEU89E, LYS68C, LYS68E, MET71C, MET71E, MET79C, MET79E, MET81C, MET81E, MET86C, MET86E, MET91C, MET91E, PHE27C, PHE27E, PHE61C, PHE61E, PRO109C, PRO109E, PRO141C, PRO141E, SER106C, SER106E, SER135C, SER135E, SER32C, SER32E, THR84C, THR84E, VAL113C, VAL113E, VAL74C, VAL74E, VAL75C, VAL75E, VAL85C, VAL85E
• C-F: ALA102C, ALA107F, ALA120F, ARG103C, ARG127F, ARG130C, ARG152F, ARG92C, ASN101C, ASN111C, ASN128F, ASP115C, ASP115F, ASP93C, CYS114C, GLU121F, GLU155F, GLY112C, HIS96C, ILE108F, LEU110C, LEU110F, LEU89C, PRO109F, SER106F, SER116F, SER118F, SER124F, TRP119F, TYR117F, VAL113C
• D-E: ASN111D, ASN111E
• D-F: ALA107D, ALA120D, ARG103F, ARG127D, ARG130F, ARG152D, ARG92F, ASN101F, ASN111F, ASP115D, ASP115F, ASP93F, CYS114F, GLU121D, GLU155D, GLY112F, HIS96F, ILE108D, LEU110D, LEU110F, LEU89F, PRO109D, SER106D, SER116D, SER118D, SER124D, TRP119D, TYR117D, VAL113F
• E-F: ALA107E, ALA107F, ALA120E, ALA120F, ALA148E, ALA148F, ALA203E, ALA203F, ALA204E, ALA204F, ARG152E, ARG152F, ARG209E, ARG209F, ARG73E, ARG73F, ASN140E, ASN140F, ASN72E, ASN72F, ASP201E, ASP201F, ASP210E, ASP210F, ASP77E, ASP77F, CYS150E, CYS150F, GLU155E, GLU155F, GLU157E, GLU157F, GLY137E, GLY137F, GLY139E, GLY139F, GLY153E, GLY153F, GLY76E, GLY76F, HIS211E, HIS211F, HIS78E, HIS78F, ILE123E, ILE123F, ILE154E, ILE154F, ILE156E, ILE156F, LEU151E, LEU151F, LEU193E, LEU193F, LEU202E, LEU202F, LEU207E, LEU207F, MET81E, MET81F, PHE142E, PHE142F, PHE143E, PHE143F, PHE205E, PHE205F, PRO109E, PRO109F, PRO141E, PRO141F, SER118E, SER118F, SER147E, SER147F, THR138E, THR138F, THR144E, THR144F, THR206E, THR206F, TRP119E, TRP119F, TYR117E, TYR117F, VAL74E, VAL74F, VAL75E, VAL75F