3LVP

crystal structure of bisphosphorylated igf1-r kinase domain (2p) in complex with a bis-azaindole inhibitor

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 83
  • Norm. En. per Res.: -3.3393
• 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	-16.8867	13.5899	-111.63	-114.9269	82	7	1	5625	3	27	36
A-D	-7.873	0.0	-1.314	-9.187	9	1	0	179	1	4	6
B-C	-16.8496	-74.7022	-185.606	-277.1578	83	18	3	8824	6	27	30
B-D	-17.1398	-24.2834	-142.957	-184.3801	91	10	0	5785	5	24	32
C-D	0.0	19.5188	-20.8398	-1.321	20	8	0	1293	1	5	4

Interface residues

• A-B: ALA1105A, ALA1105B, ALA1144A, ALA1144B, ARG1029A, ARG1029B, ARG1084A, ARG1084B, ARG1275A, ARG1275B, ASP1024A, ASP1146A, ASP1146B, GLN1114A, GLN1114B, GLU1015A, GLU1015B, GLU1025A, GLU1025B, GLU1027A, GLU1027B, GLU1099A, GLU1145A, GLU1145B, GLU1268A, GLU1268B, GLU1269A, GLU1269B, GLU1271A, GLU1271B, GLU1276A, GLU1276B, GLY1273A, GLY1273B, ILE1113A, ILE1113B, ILE1266A, ILE1266B, LEU1081A, LEU1081B, LEU1094A, LEU1104A, LEU1104B, LEU1109A, LEU1109B, LYS1111A, LYS1111B, LYS1267A, LYS1267B, MET1082B, MET1098A, MET1270A, MET1270B, PHE1147A, PHE1147B, PHE1274A, PHE1274B, PRO1026A, PRO1026B, PRO1096A, PRO1096B, PRO1102A, PRO1272A, PRO1272B, SER1108A, SER1108B, SER1110A, SER1110B, THR1028A, THR1028B, THR1083A, THR1083B, THR1148A, THR1148B, TYR1090A, TYR1090B, VAL1017B, VAL1030B, VAL1103A, VAL1103B, VAL1277A, VAL1277B
• A-D: ARG1275D, GLU1027A, GLU1268D, LYS1019A, LYS1267D, PRO1026A, SER1264D, TYR1281D, VAL1017A
• B-C: ALA1137C, ALA1209C, ARG1042B, ARG1092C, ARG1095C, ARG1134B, ARG1134C, ARG1139C, ARG1167B, ARG1177C, ARG1223B, ARG1223C, ASN1140C, ASN1218B, ASN1218C, ASN1252B, ASP1135C, ASP1153C, ASP1164B, ASP1186B, ASP1232C, ASP1235C, GLN1007C, GLN1211C, GLN1214C, GLN1220C, GLU1097C, GLU1182B, GLU1210C, GLU1219B, GLU1219C, GLY1155C, GLY1169B, GLY1170B, GLY1172B, GLY1172C, GLY1187B, GLY1215C, HIS1133C, LEU1136C, LEU1173B, LEU1173C, LEU1174B, LEU1174C, LEU1184B, LEU1184C, LEU1208C, LEU1216C, LEU1222B, LEU1222C, LYS1088C, LYS1168B, LYS1168C, LYS1171B, LYS1185B, LYS1185C, MET1156B, MET1156C, MET1179B, MET1179C, MET1226B, PHE1189B, PRO1096C, PRO1175B, PRO1175C, PRO1181B, PRO1212C, SER1009C, SER1183B, SER1217C, THR1163B, THR1207C, TRP1178C, TRP1203C, TYR1161B, TYR1165B, TYR1166B, TYR1213C, TYR1251B, VAL1176B, VAL1176C, VAL1188B, VAL1221C
• B-D: ALA1038B, ALA1039B, ALA1209B, ARG1092B, ARG1095B, ARG1177B, ARG1223D, ARG1246D, ARG1256D, ASN1036B, ASN1218B, ASN1236D, ASN1252D, ASP1086B, ASP1186D, ASP1232D, ASP1235B, ASP1235D, ASP1239D, CYS1237D, CYS1248D, GLN1007B, GLN1211B, GLN1214B, GLN1220B, GLN1250D, GLU1004B, GLU1043B, GLU1097B, GLU1182D, GLU1204B, GLU1210B, GLU1219B, GLU1227D, GLU1243D, GLU1261D, GLU1269D, GLY1006B, GLY1008B, GLY1011B, GLY1085B, GLY1172B, GLY1215B, GLY1228D, GLY1229D, ILE1262D, ILE1266D, LEU1005B, LEU1173B, LEU1174B, LEU1208B, LEU1216B, LEU1222D, LEU1230D, LEU1231D, LEU1241D, LEU1244D, LYS1088B, LYS1171B, LYS1185D, LYS1233D, LYS1254D, MET1012B, MET1226D, MET1240D, MET1245D, MET1247D, MET1255D, PHE1010B, PHE1224D, PHE1242D, PRO1096B, PRO1212B, PRO1234D, PRO1253D, PRO1257D, SER1009B, SER1089B, SER1217B, SER1264D, SER1265D, THR1207B, TRP1178B, TRP1203B, TRP1249D, TYR1090B, TYR1213B, TYR1251D, VAL1013B, VAL1221B, VAL1225D
• C-D: ARG1223C, ARG1223D, GLN1220C, GLN1220D, GLU1219C, GLU1219D, GLU1227C, GLU1227D, GLY1229C, GLY1229D, LEU1216C, LEU1216D, LEU1222C, LEU1222D, MET1226C, MET1226D, PHE1224C, PHE1224D, SER1217C, SER1217D