2J4K

crystal structure of uridylate kinase from sulfolobus solfataricus in complex with ump to 2.2 angstrom resolution

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 125
  • Norm. En. per Res.: -2.9858
• 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	-17.5419	21.1924	-369.335	-365.6846	123	15	32	15751	0	20	11
A-C	-8.5407	5.9584	-57.1494	-59.7317	34	7	0	2350	0	12	12
A-E	-43.7895	2.6921	-236.711	-277.8084	95	16	4	10451	12	23	23
A-F	0.0	4.943	-57.4801	-52.5371	34	3	0	2210	0	11	11
B-C	-25.7694	-2.0139	-224.49	-252.2733	91	14	3	9985	11	19	20
B-D	0.0	5.928	-54.1658	-48.2378	33	5	0	2286	0	11	12
B-E	-10.4076	5.6813	-60.6547	-65.381	35	5	0	2297	0	11	12
C-D	-25.2528	18.0619	-366.04	-373.2309	125	17	31	15614	1	18	12
C-F	-8.4268	6.3451	-61.6897	-63.7714	33	5	0	2291	0	11	12
D-E	0.0	5.8467	-63.6911	-57.8444	32	3	0	2281	0	10	12
D-F	-34.025	2.3963	-238.62	-270.2487	94	14	3	10301	13	21	22
E-F	-39.1377	12.1603	-325.099	-352.0764	123	31	30	14772	1	20	9

Interface residues

• A-B: ALA47A, ALA47B, ALA54A, ALA54B, ALA62A, ALA62B, ALA71A, ALA71B, ALA76A, ALA76B, ARG24A, ARG24B, ARG49A, ARG49B, ARG55A, ARG55B, ARG73A, ARG73B, ASN16A, ASN16B, ASN19A, ASN19B, ASN75A, ASN75B, ASP13A, ASP13B, ASP15A, ASP15B, ASP18A, ASP18B, ASP65A, ASP65B, ASP85A, ASP85B, GLN84A, GLN84B, GLN93A, GLN93B, GLU14A, GLU14B, GLU56A, GLU56B, GLU61B, GLY42A, GLY42B, GLY43A, GLY43B, GLY44A, GLY44B, GLY58A, GLY58B, GLY60A, GLY60B, GLY68A, GLY68B, GLY9A, GLY9B, HIS90A, HIS90B, ILE21A, ILE21B, ILE51A, ILE51B, ILE57A, ILE57B, ILE59A, ILE59B, ILE69A, ILE69B, LEU20A, LEU20B, LEU53A, LEU53B, LEU64A, LEU64B, LEU66A, LEU66B, LEU67A, LEU67B, LEU74A, LEU74B, LEU78A, LEU78B, LEU83A, LEU83B, LYS10A, LYS10B, LYS52A, LYS52B, MET80A, MET80B, MET89A, MET89B, PHE11A, PHE11B, PHE12A, PHE12B, PHE81A, PHE81B, SER45A, SER45B, SER72A, SER72B, SER82A, SER82B, THR46A, THR46B, TRP70A, TRP70B, TYR50A, TYR50B, TYR63A, TYR63B, TYR77A, TYR77B, VAL17A, VAL17B, VAL22A, VAL22B, VAL79A, VAL79B, VAL91A, VAL91B
• A-C: ALA129C, ALA87A, ARG36C, ASN2C, ASP101A, ASP101C, ASP85A, GLN100A, GLN100C, GLN84A, GLU128C, GLU96C, GLU97A, GLU97C, GLY105C, HIS104A, HIS104C, HIS90A, ILE99C, LYS106A, MET80A, MET89A, PHE81A, PHE98C, PRO92A, SER103A, SER103C, SER130C, SER131C, TRP102C, TYR77A, TYR88A, TYR88C, VAL91A
• A-E: ALA121A, ALA121E, ALA124A, ALA124E, ALA127A, ALA127E, ALA129A, ALA129E, ALA62A, ALA62E, ARG167A, ARG194A, ARG194E, ARG55A, ARG55E, ARG73A, ARG73E, ASP185A, ASP185E, ASP65A, ASP65E, GLN100A, GLN100E, GLN114A, GLN114E, GLN117A, GLN117E, GLN93A, GLN93E, GLU128A, GLU128E, GLU171E, GLU61A, GLU61E, GLU96A, GLU96E, GLU97A, GLU97E, GLY112A, GLY112E, GLY116A, GLY116E, GLY60A, GLY60E, ILE191A, ILE191E, ILE197A, ILE197E, ILE69A, ILE69E, ILE99A, ILE99E, LEU125A, LEU125E, LEU170E, LEU184E, LEU187A, LEU187E, LEU64A, LEU64E, LEU66A, LEU66E, LEU95A, LEU95E, LYS190A, LYS190E, PHE113A, PHE113E, PHE98A, PHE98E, PRO115A, PRO115E, PRO186A, PRO186E, SER103E, SER118A, SER118E, SER130A, SER130E, SER131A, SER131E, SER195A, SER195E, SER94A, SER94E, TRP102A, TRP102E, TRP70A, TRP70E, TYR63A, TYR63E, VAL122A, VAL122E, VAL126A, VAL126E
• A-F: ALA129A, ALA87F, ARG36A, ASN2A, ASP101A, ASP101F, ASP85F, GLN100A, GLN100F, GLN84F, GLU128A, GLU96A, GLU97A, GLU97F, GLY105A, HIS104A, HIS104F, HIS90F, ILE99A, LEU86F, LYS106F, MET1A, MET80F, MET89F, PHE81F, PHE98A, SER103A, SER130A, SER131A, TRP102A, TYR77F, TYR88A, TYR88F, VAL91F
• B-C: ALA121B, ALA121C, ALA124B, ALA124C, ALA127B, ALA127C, ALA129B, ALA129C, ALA62B, ALA62C, ARG194B, ARG194C, ARG55B, ARG55C, ARG73B, ARG73C, ASP185B, ASP185C, ASP65B, ASP65C, GLN100B, GLN100C, GLN114B, GLN114C, GLN117B, GLN117C, GLN93B, GLN93C, GLU128B, GLU128C, GLU61B, GLU61C, GLU96B, GLU96C, GLU97B, GLU97C, GLY112B, GLY112C, GLY116B, GLY116C, GLY60B, GLY60C, ILE191B, ILE191C, ILE197B, ILE197C, ILE69B, ILE69C, ILE99B, ILE99C, LEU125B, LEU125C, LEU187B, LEU187C, LEU64B, LEU64C, LEU66B, LEU66C, LEU95B, LEU95C, LYS190B, LYS190C, PHE113B, PHE113C, PHE98B, PHE98C, PRO115B, PRO115C, PRO186B, PRO186C, SER103B, SER118B, SER118C, SER130B, SER130C, SER131B, SER131C, SER195B, SER195C, SER94B, SER94C, TRP102B, TRP102C, TRP70B, TRP70C, TYR63B, TYR63C, VAL122B, VAL122C, VAL126B, VAL126C
• B-D: ALA129B, ALA87D, ARG36B, ASN2B, ASP101B, ASP101D, ASP85D, GLN100B, GLN100D, GLN84D, GLU128B, GLU96B, GLU97B, GLU97D, GLY105B, HIS104B, HIS104D, HIS90D, ILE99B, LYS106B, LYS106D, MET80D, MET89D, PHE81D, PHE98B, SER103B, SER130B, SER131B, TRP102B, TYR77D, TYR88B, TYR88D, VAL91D
• B-E: ALA129E, ALA87B, ARG36E, ASN2E, ASP101B, ASP101E, ASP85B, GLN100B, GLN100E, GLN84B, GLU128E, GLU96E, GLU97B, GLU97E, GLY105E, HIS104B, HIS104E, HIS90B, ILE99E, LEU86B, LYS106B, LYS106E, MET80B, MET89B, PHE81B, PHE98E, PRO92B, SER103E, SER130E, SER131E, TRP102E, TYR77B, TYR88B, TYR88E, VAL91B
• C-D: ALA47C, ALA47D, ALA54C, ALA54D, ALA62C, ALA62D, ALA71C, ALA71D, ALA76C, ALA76D, ARG24C, ARG24D, ARG48C, ARG49C, ARG49D, ARG55C, ARG55D, ARG73C, ARG73D, ASN16C, ASN16D, ASN19C, ASN19D, ASN75C, ASN75D, ASP13C, ASP13D, ASP15C, ASP15D, ASP18C, ASP18D, ASP65C, ASP65D, ASP85C, ASP85D, GLN84C, GLN84D, GLN93C, GLN93D, GLU14C, GLU14D, GLU56C, GLU56D, GLU61C, GLU61D, GLY42C, GLY42D, GLY43C, GLY43D, GLY44C, GLY44D, GLY58C, GLY58D, GLY60C, GLY60D, GLY68C, GLY68D, GLY9C, GLY9D, HIS90C, HIS90D, ILE21C, ILE21D, ILE51C, ILE51D, ILE57C, ILE57D, ILE59C, ILE59D, ILE69C, ILE69D, LEU20C, LEU20D, LEU53C, LEU53D, LEU64C, LEU64D, LEU66C, LEU66D, LEU67C, LEU67D, LEU74C, LEU74D, LEU78C, LEU78D, LEU83C, LEU83D, LYS10C, LYS10D, LYS52C, LYS52D, MET80C, MET80D, MET89C, MET89D, PHE11C, PHE11D, PHE12C, PHE12D, PHE81C, PHE81D, SER45C, SER45D, SER72C, SER72D, SER82C, SER82D, THR46C, THR46D, TRP70C, TRP70D, TYR50C, TYR50D, TYR63C, TYR63D, TYR77C, TYR77D, VAL17C, VAL17D, VAL22C, VAL22D, VAL79C, VAL79D, VAL91C, VAL91D
• C-F: ALA129F, ALA87C, ARG36F, ASN2F, ASP101C, ASP101F, ASP85C, GLN100C, GLN100F, GLN84C, GLU128F, GLU96F, GLU97F, GLY105F, HIS104C, HIS104F, HIS90C, ILE99F, LEU86C, LYS106C, MET80C, MET89C, PHE81C, PHE98F, SER103F, SER130F, SER131F, TRP102F, TYR77C, TYR88C, TYR88F, VAL107C, VAL91C
• D-E: ALA129D, ALA87E, ARG36D, ASN2D, ASP101D, ASP101E, ASP85E, GLN100D, GLN100E, GLN84E, GLU128D, GLU96D, GLU97D, GLY105D, HIS104D, HIS104E, HIS90E, ILE99D, LEU86E, LYS106E, MET80E, MET89E, PHE81E, PHE98D, SER103D, SER130D, SER131D, TRP102D, TYR77E, TYR88D, TYR88E, VAL91E
• D-F: ALA121D, ALA121F, ALA124D, ALA124F, ALA127D, ALA127F, ALA129D, ALA129F, ALA62D, ALA62F, ARG194D, ARG194F, ARG55D, ARG55F, ARG73D, ARG73F, ASP185D, ASP185F, ASP65D, ASP65F, GLN100D, GLN100F, GLN114D, GLN114F, GLN117D, GLN117F, GLN93D, GLN93F, GLU128D, GLU128F, GLU61D, GLU61F, GLU96D, GLU96F, GLU97D, GLU97F, GLY112D, GLY112F, GLY116D, GLY116F, GLY60D, GLY60F, ILE169F, ILE191D, ILE191F, ILE197D, ILE197F, ILE69D, ILE69F, ILE99D, ILE99F, LEU125D, LEU125F, LEU184D, LEU184F, LEU187D, LEU187F, LEU64D, LEU64F, LEU66D, LEU66F, LEU95D, LEU95F, LYS190D, LYS190F, PHE113D, PHE113F, PHE98D, PHE98F, PRO115D, PRO115F, PRO186D, PRO186F, SER103D, SER118D, SER118F, SER130D, SER130F, SER131D, SER131F, SER195D, SER195F, SER94D, SER94F, TRP102D, TRP102F, TRP70D, TRP70F, TYR63D, TYR63F, VAL122D, VAL122F, VAL126D, VAL126F
• E-F: ALA47E, ALA47F, ALA54E, ALA54F, ALA62E, ALA62F, ALA71E, ALA71F, ALA76E, ALA76F, ARG24E, ARG24F, ARG48F, ARG49E, ARG49F, ARG55E, ARG55F, ARG73E, ARG73F, ASN16E, ASN16F, ASN19F, ASN75E, ASN75F, ASP13E, ASP13F, ASP15E, ASP15F, ASP18F, ASP65E, ASP65F, ASP85E, ASP85F, GLN25E, GLN84E, GLN84F, GLN93E, GLN93F, GLU14E, GLU14F, GLU56E, GLU56F, GLU61E, GLU61F, GLY42E, GLY42F, GLY43E, GLY43F, GLY44E, GLY44F, GLY58E, GLY58F, GLY60E, GLY60F, GLY68E, GLY68F, GLY9E, GLY9F, HIS90E, HIS90F, ILE21F, ILE51E, ILE51F, ILE57E, ILE57F, ILE59E, ILE59F, ILE69E, ILE69F, LEU20F, LEU23E, LEU53E, LEU53F, LEU64E, LEU64F, LEU66E, LEU66F, LEU67E, LEU67F, LEU74E, LEU74F, LEU78E, LEU78F, LEU83E, LEU83F, LYS10E, LYS10F, LYS52E, LYS52F, MET80E, MET80F, MET89E, MET89F, PHE11E, PHE11F, PHE12E, PHE12F, PHE81E, PHE81F, SER45E, SER45F, SER72E, SER72F, SER82E, SER82F, THR41F, THR46E, THR46F, TRP70E, TRP70F, TYR50E, TYR50F, TYR63E, TYR63F, TYR77E, TYR77F, VAL17F, VAL22E, VAL22F, VAL79E, VAL79F, VAL91E, VAL91F