3KTA

structural basis for adenylate kinase activity in abc atpases

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 210
  • Norm. En. per Res.: -4.9737
• 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	-215.0961	-28.4594	-833.626	-1077.1816	218	27	47	34429	0	39	40
A-C	-47.952	-25.8244	-111.686	-185.4624	67	10	0	5001	9	65	39
C-D	-200.7345	-26.8951	-816.849	-1044.4785	210	32	44	33779	0	40	38

Interface residues

• A-B: ALA1019B, ALA1056B, ALA1075B, ALA1078B, ALA1080B, ALA1084B, ALA1091B, ALA1101B, ALA1112B, ALA1135B, ALA1137B, ALA1160B, ALA133A, ALA30A, ALA34A, ALA45A, ALA69A, ARG1015B, ARG1065B, ARG1130B, ARG1146B, ARG1168B, ARG159A, ARG160A, ARG59A, ASN1011B, ASN1043B, ASN1136B, ASN1177B, ASN141A, ASN17A, ASN35A, ASN41A, ASN87A, ASP1046B, ASP1097B, ASP1100B, ASP1113B, ASP1131B, ASP1138B, ASP1147B, ASP147A, ASP164A, ASP165A, ASP44A, ASP90A, GLN1086B, GLN1123B, GLN1171B, GLN145A, GLU1008B, GLU1018B, GLU1042B, GLU1053B, GLU1055B, GLU1067B, GLU1073B, GLU1098B, GLU1117B, GLU1121B, GLU1166B, GLU1174B, GLU158A, GLU5A, GLY1050B, GLY1051B, GLY1071B, GLY1072B, GLY1142B, GLY1148B, GLY1172B, GLY1176B, GLY139A, GLY146A, GLY168A, GLY16A, GLY27A, GLY33A, GLY36A, GLY38A, GLY43A, GLY70A, GLY92A, HIS1102B, HIS1175B, ILE1020B, ILE1040B, ILE1054B, ILE1066B, ILE1085B, ILE1099B, ILE1115B, ILE1125B, ILE1127B, ILE1140B, ILE1141B, ILE1163B, ILE1167B, ILE135A, ILE142A, ILE148A, ILE152A, ILE163A, ILE166A, ILE169A, ILE22A, ILE31A, ILE42A, ILE46A, ILE4A, ILE84A, LEU1039B, LEU1041B, LEU1052B, LEU1076B, LEU1079B, LEU1095B, LEU1103B, LEU1129B, LEU1155B, LEU1157B, LEU1164B, LEU130A, LEU144A, LEU157A, LEU161A, LEU162A, LEU47A, LEU50A, LEU7A, LEU9A, LYS1009B, LYS1010B, LYS1074B, LYS1087B, LYS1089B, LYS1116B, LYS1120B, LYS1139B, LYS1151B, LYS1159B, LYS1170B, LYS13A, LYS150A, LYS153A, LYS18A, LYS26A, LYS39A, LYS6A, PHE1013B, PHE1017B, PHE1024B, PHE1028B, PHE1048B, PHE1081B, PHE1083B, PHE1088B, PHE1093B, PHE1096B, PHE1124B, PHE12A, PHE151A, PHE24A, PHE28A, PHE68A, PHE86A, PHE93A, PRO1047B, PRO1090B, PRO1092B, PRO137A, PRO156A, PRO23A, PRO2A, SER1021B, SER1049B, SER1070B, SER1118B, SER1119B, SER1122B, SER1144B, SER1150B, SER1154B, SER1156B, SER136A, SER14A, SER155A, SER167A, SER25A, SER37A, SER40A, SER71A, THR1016B, THR1077B, THR1128B, THR131A, THR149A, THR29A, TRP1173B, TYR1094B, TYR140A, TYR15A, TYR3A, TYR85A, VAL1012B, VAL1082B, VAL1111B, VAL1126B, VAL1132B, VAL1143B, VAL1149B, VAL1152B, VAL1153B, VAL143A, VAL20A, VAL21A, VAL32A, VAL49A
• A-C: ALA121A, ALA83C, ARG103A, ARG103C, ARG104C, ARG105A, ARG105C, ARG119A, ARG119C, ARG120A, ARG120C, ARG91A, ARG91C, ASN117A, ASN117C, ASN17A, ASN17C, ASN87C, ASN88C, ASP96A, ASP96C, ASP98A, ASP98C, GLU5A, GLU5C, GLU81A, GLU81C, GLU89A, GLU89C, GLU8A, GLU8C, GLU97A, GLU97C, GLU99A, GLU99C, GLY118A, GLY118C, LEU116A, LEU116C, LYS10A, LYS10C, LYS18A, LYS18C, LYS19A, LYS19C, LYS6A, LYS6C, LYS78A, LYS78C, SER113A, SER113C, THR122A, TRP115A, TRP115C, TYR107A, TYR107C, TYR114A, TYR114C, TYR79A, TYR79C, TYR85A, TYR85C, VAL100A, VAL101A, VAL101C, VAL21A, VAL21C
• C-D: ALA1019D, ALA1056D, ALA1068D, ALA1075D, ALA1078D, ALA1080D, ALA1084D, ALA1091D, ALA1101D, ALA1112D, ALA1135D, ALA1137D, ALA1160D, ALA132C, ALA133C, ALA30C, ALA34C, ALA45C, ALA69C, ARG1015D, ARG1065D, ARG1130D, ARG1146D, ARG1168D, ARG159C, ARG160C, ARG59C, ASN1011D, ASN1043D, ASN1136D, ASN141C, ASN17C, ASN35C, ASN41C, ASN87C, ASP1046D, ASP1097D, ASP1100D, ASP1113D, ASP1131D, ASP1138D, ASP1147D, ASP147C, ASP164C, ASP165C, ASP44C, ASP90C, GLN1086D, GLN1123D, GLN145C, GLU1008D, GLU1018D, GLU1042D, GLU1053D, GLU1055D, GLU1067D, GLU1073D, GLU1098D, GLU1117D, GLU1121D, GLU1166D, GLU158C, GLU5C, GLY1050D, GLY1051D, GLY1071D, GLY1072D, GLY1142D, GLY1148D, GLY11C, GLY139C, GLY146C, GLY168C, GLY16C, GLY27C, GLY33C, GLY36C, GLY38C, GLY43C, GLY92C, HIS1102D, ILE1020D, ILE1040D, ILE1054D, ILE1066D, ILE1085D, ILE1099D, ILE1115D, ILE1125D, ILE1127D, ILE1140D, ILE1141D, ILE1163D, ILE1167D, ILE135C, ILE142C, ILE148C, ILE152C, ILE163C, ILE166C, ILE169C, ILE22C, ILE31C, ILE42C, ILE46C, ILE4C, ILE84C, LEU1039D, LEU1041D, LEU1052D, LEU1076D, LEU1079D, LEU1095D, LEU1103D, LEU1129D, LEU1155D, LEU1157D, LEU1164D, LEU130C, LEU144C, LEU157C, LEU161C, LEU162C, LEU47C, LEU50C, LEU7C, LEU9C, LYS1009D, LYS1010D, LYS1074D, LYS1087D, LYS1089D, LYS1116D, LYS1120D, LYS1139D, LYS1151D, LYS1159D, LYS13C, LYS150C, LYS153C, LYS18C, LYS26C, LYS39C, LYS6C, PHE1013D, PHE1017D, PHE1024D, PHE1028D, PHE1048D, PHE1081D, PHE1083D, PHE1088D, PHE1093D, PHE1096D, PHE1124D, PHE12C, PHE151C, PHE24C, PHE28C, PHE68C, PHE86C, PHE93C, PRO1047D, PRO1090D, PRO1092D, PRO137C, PRO156C, PRO23C, PRO2C, SER1021D, SER1049D, SER1070D, SER1118D, SER1119D, SER1122D, SER1144D, SER1150D, SER1154D, SER1156D, SER136C, SER14C, SER155C, SER167C, SER25C, SER37C, SER40C, THR1016D, THR1077D, THR1128D, THR149C, THR29C, TYR1094D, TYR140C, TYR15C, TYR3C, TYR85C, VAL1012D, VAL1082D, VAL1111D, VAL1126D, VAL1132D, VAL1143D, VAL1149D, VAL1152D, VAL1153D, VAL143C, VAL20C, VAL21C, VAL32C, VAL49C