2XUL

structure of pii from synechococcus elongatus in complex with 2-oxoglutarate at high 2-og concentrations

• Total interactions analyzed: 15
• Total true interactions: 6
• Strongest Interaction:
  • Chains: D-F
  • Int. Res.: 111
  • Norm. En. per Res.: -5.278
• Hub Node: A(2)

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	-160.5055	-20.4915	-374.611	-555.6081	111	28	12	15602	5	41	43
A-C	-167.2839	-9.1886	-373.658	-550.1305	110	25	13	15538	5	41	43
B-C	-155.4742	-5.4573	-374.747	-535.6785	112	23	12	15305	6	41	41
D-E	-149.0733	-7.485	-374.017	-530.5753	110	23	11	15392	6	40	40
D-F	-186.4057	-15.8471	-383.602	-585.8549	111	27	13	15890	5	42	44
E-F	-139.1369	-7.1462	-372.214	-518.4971	110	17	13	15239	5	41	42

Interface residues

• A-B: ALA111B, ALA114B, ALA6A, ALA79A, ALA80A, ALA81A, ARG101B, ARG103B, ARG34A, ARG38A, ARG82A, ARG9A, ASN108B, ASN22B, ASP110B, ASP14B, ASP67A, ASP71A, ASP75A, ASP88A, ASP97B, GLN39A, GLN57A, GLN98B, GLU106B, GLU32A, GLU32B, GLU54A, GLU5A, GLU5B, GLU62A, GLU62B, GLU85A, GLY105B, GLY24B, GLY27B, GLY35A, GLY37A, GLY41A, GLY84A, GLY87A, GLY89A, ILE100B, ILE102B, ILE112B, ILE18B, ILE25B, ILE4A, ILE63B, ILE74A, ILE77A, ILE7A, ILE86A, ILE8A, ILE8B, ILE91A, LEU13B, LEU20B, LEU56A, LEU59A, LEU59B, LEU61A, LEU61B, LYS107B, LYS12A, LYS17B, LYS2A, LYS2B, LYS3A, LYS3B, LYS40A, LYS58A, LYS60A, LYS60B, LYS90A, MET1A, MET1B, MET28B, PHE36A, PHE55A, PHE92A, PRO10B, PRO95A, PRO95B, SER113B, SER31A, SER31B, SER94A, SER94B, THR104B, THR29B, THR52A, THR83A, THR99B, TRP115B, TYR51A, VAL16A, VAL16B, VAL21B, VAL26B, VAL30B, VAL33A, VAL33B, VAL53A, VAL64B, VAL65B, VAL70A, VAL78A, VAL93A, VAL96A, VAL96B
• A-C: ALA111A, ALA6C, ALA79C, ALA80C, ALA81C, ARG101A, ARG103A, ARG34C, ARG38C, ARG82C, ARG9C, ASN108A, ASN22A, ASP110A, ASP14A, ASP67C, ASP71C, ASP75C, ASP88C, ASP97A, GLN39C, GLN42C, GLN57C, GLN98A, GLU106A, GLU32A, GLU32C, GLU54C, GLU5A, GLU5C, GLU62A, GLU62C, GLU85C, GLY105A, GLY24A, GLY27A, GLY35C, GLY37C, GLY41C, GLY84C, GLY87C, GLY89C, ILE100A, ILE102A, ILE112A, ILE18A, ILE25A, ILE4C, ILE63A, ILE74C, ILE77C, ILE7C, ILE86C, ILE8C, ILE91C, LEU13A, LEU20A, LEU56C, LEU59A, LEU59C, LEU61A, LEU61C, LYS107A, LYS12C, LYS17A, LYS2A, LYS2C, LYS3A, LYS3C, LYS40C, LYS58A, LYS58C, LYS60A, LYS60C, LYS90C, MET1A, MET1C, MET28A, PHE36C, PHE55C, PHE92C, PRO10A, PRO95A, PRO95C, SER113A, SER31A, SER31C, SER94A, SER94C, THR104A, THR29A, THR52C, THR83C, THR99A, TYR51C, VAL16A, VAL16C, VAL21A, VAL26A, VAL30A, VAL33A, VAL33C, VAL53C, VAL64A, VAL65A, VAL70C, VAL78C, VAL93C, VAL96A, VAL96C
• B-C: ALA109C, ALA111C, ALA6B, ALA79B, ALA80B, ALA81B, ARG101C, ARG103C, ARG34B, ARG38B, ARG82B, ARG9B, ASN108C, ASN22C, ASP110C, ASP14C, ASP67B, ASP71B, ASP75B, ASP88B, ASP97C, GLN39B, GLN42B, GLN57B, GLN57C, GLN98C, GLU106C, GLU32B, GLU32C, GLU54B, GLU5B, GLU5C, GLU62B, GLU62C, GLU85B, GLY105C, GLY24C, GLY27C, GLY35B, GLY37B, GLY41B, GLY84B, GLY87B, GLY89B, ILE100C, ILE102C, ILE112C, ILE18C, ILE25C, ILE4B, ILE63C, ILE74B, ILE77B, ILE7B, ILE86B, ILE8B, ILE91B, LEU13C, LEU20C, LEU56B, LEU59B, LEU59C, LEU61B, LEU61C, LYS107C, LYS12B, LYS17C, LYS2B, LYS2C, LYS3B, LYS3C, LYS40B, LYS58B, LYS60B, LYS60C, LYS90B, MET1B, MET1C, MET28C, PHE36B, PHE55B, PHE92B, PRO10C, PRO95B, PRO95C, SER113C, SER31B, SER31C, SER94B, SER94C, THR104C, THR29C, THR52B, THR83B, THR99C, TYR51B, VAL16B, VAL16C, VAL21C, VAL26C, VAL30C, VAL33B, VAL33C, VAL53B, VAL64C, VAL65C, VAL70B, VAL73B, VAL78B, VAL93B, VAL96B, VAL96C
• D-E: ALA109E, ALA111E, ALA6D, ALA79D, ALA80D, ALA81D, ARG101E, ARG103E, ARG34D, ARG38D, ARG82D, ARG9D, ASN108E, ASN22E, ASP110E, ASP14E, ASP67D, ASP71D, ASP75D, ASP88D, ASP97E, GLN39D, GLN57D, GLN57E, GLN98E, GLU106E, GLU32D, GLU32E, GLU54D, GLU5D, GLU5E, GLU62D, GLU62E, GLU85D, GLY105E, GLY24E, GLY27E, GLY35D, GLY37D, GLY41D, GLY84D, GLY87D, GLY89D, ILE100E, ILE102E, ILE112E, ILE18E, ILE25E, ILE4D, ILE63E, ILE74D, ILE77D, ILE7D, ILE86D, ILE8D, ILE91D, LEU13E, LEU20E, LEU56D, LEU59D, LEU59E, LEU61D, LEU61E, LYS107E, LYS12D, LYS17E, LYS2D, LYS2E, LYS3D, LYS3E, LYS40D, LYS58D, LYS60D, LYS60E, LYS90D, MET1D, MET1E, MET28E, PHE36D, PHE55D, PHE92D, PRO10E, PRO95D, PRO95E, SER31D, SER31E, SER94D, SER94E, THR104E, THR29E, THR52D, THR83D, THR99E, TYR51D, VAL16D, VAL16E, VAL21E, VAL26E, VAL30E, VAL33D, VAL33E, VAL53D, VAL64E, VAL65E, VAL70D, VAL73D, VAL78D, VAL93D, VAL96D, VAL96E
• D-F: ALA111D, ALA114D, ALA19D, ALA6F, ALA79F, ALA80F, ALA81F, ARG101D, ARG103D, ARG34F, ARG38F, ARG82F, ARG9F, ASN108D, ASN22D, ASP110D, ASP14D, ASP67F, ASP71F, ASP75F, ASP88F, ASP97D, GLN39F, GLN57F, GLN98D, GLU106D, GLU32D, GLU32F, GLU54F, GLU5D, GLU5F, GLU62D, GLU62F, GLU85F, GLY105D, GLY24D, GLY27D, GLY35F, GLY37F, GLY41F, GLY84F, GLY87F, GLY89F, ILE100D, ILE102D, ILE112D, ILE18D, ILE25D, ILE4F, ILE63D, ILE74F, ILE77F, ILE7F, ILE86F, ILE8D, ILE8F, ILE91F, LEU13D, LEU20D, LEU56F, LEU59D, LEU59F, LEU61D, LEU61F, LYS107D, LYS12F, LYS17D, LYS2D, LYS2F, LYS3D, LYS3F, LYS40F, LYS58F, LYS60D, LYS60F, LYS90F, MET1D, MET1F, MET28D, PHE36F, PHE55F, PHE92F, PRO10D, PRO95D, PRO95F, SER113D, SER31D, SER31F, SER94D, SER94F, THR104D, THR29D, THR52F, THR83F, THR99D, TYR51F, VAL16D, VAL16F, VAL21D, VAL26D, VAL30D, VAL33D, VAL33F, VAL53F, VAL64D, VAL65D, VAL70F, VAL78F, VAL93F, VAL96D, VAL96F
• E-F: ALA111F, ALA6E, ALA79E, ALA80E, ALA81E, ARG101F, ARG103F, ARG34E, ARG38E, ARG82E, ARG9E, ASN108F, ASN22F, ASP110F, ASP14F, ASP67E, ASP71E, ASP75E, ASP88E, ASP97F, GLN39E, GLN57E, GLN98F, GLU106F, GLU32E, GLU32F, GLU50E, GLU54E, GLU5E, GLU5F, GLU62E, GLU62F, GLU85E, GLY105F, GLY24F, GLY27F, GLY35E, GLY37E, GLY41E, GLY84E, GLY87E, GLY89E, ILE100F, ILE102F, ILE112F, ILE18F, ILE25F, ILE4E, ILE63F, ILE74E, ILE77E, ILE7E, ILE86E, ILE8E, ILE91E, LEU13F, LEU20F, LEU56E, LEU59E, LEU59F, LEU61E, LEU61F, LYS107F, LYS12E, LYS17F, LYS2E, LYS2F, LYS3E, LYS3F, LYS40E, LYS58E, LYS60E, LYS60F, LYS90E, MET1E, MET1F, MET28F, PHE36E, PHE55E, PHE92E, PRO10F, PRO95E, PRO95F, SER113F, SER31E, SER31F, SER94E, SER94F, THR104F, THR29F, THR52E, THR72E, THR83E, THR99F, TYR51E, VAL16E, VAL16F, VAL21F, VAL26F, VAL30F, VAL33E, VAL33F, VAL53E, VAL64F, VAL65F, VAL70E, VAL78E, VAL93E, VAL96E, VAL96F