2ZM3

complex structure of insulin-like growth factor receptor and isoquinolinedione inhibitor

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 61
  • Norm. En. per Res.: -2.3361
• Hub Node: A(3)

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	-6.5041	-15.5043	-28.3339	-50.3423	28	6	0	1472	2	16	20
A-C	0.0	0.0	-0.1416	-0.1416	9	0	0	33	0	4	13
A-D	-33.371	28.5167	-110.701	-115.5553	55	6	0	3735	1	7	13
B-C	0.0	6.2795	-148.784	-142.5045	61	16	1	6067	0	16	24
B-D	0.0	5.3823	0.0	5.3823	2	0	0	0	0	1	5
C-D	0.0	22.0081	-7.0901	14.9181	11	0	0	395	0	4	6

Interface residues

• A-B: ALA995B, ARG1275A, ARG996B, ASP1024B, ASP990B, GLN1071B, GLU1025B, GLU1268A, GLU1271A, GLU1276A, GLU1283A, GLU991B, GLU993B, GLU997B, GLY1020B, ILE999B, LYS1019B, LYS1023B, LYS1267A, LYS998B, MET1270A, PHE1274A, PRO1026B, PRO1272A, TYR1281A, VAL1021B, VAL1022B, VAL994B
• A-C: ARG1029A, ARG1275C, GLU1145A, GLU1268C, GLU1276A, GLU1276C, LYS1111A, PRO1272C, VAL1103A
• A-D: ALA1038D, ALA1039D, ALA1105A, ALA1206A, ARG1003D, ARG1044D, ARG1095A, ARG996D, ASN1036D, ASN1101A, ASN1236A, ASP1235A, ASP1239A, CYS1237A, GLN1073D, GLU1004D, GLU1015D, GLU1037D, GLU1097A, GLU997D, GLY1016D, GLY1072D, ILE999D, LEU1005D, LEU1076D, LEU1094A, LEU1104A, LEU1109A, LEU1241A, LYS1111A, LYS1233A, LYS998D, MET1001D, MET1012D, MET1112A, MET1240A, PHE981D, PRO1074D, PRO1096A, PRO1102A, PRO1106A, PRO1107A, PRO1234A, PRO1238A, SER1002D, SER1108A, SER1110A, SER980D, THR1000D, THR1034D, THR1075D, TYR1014D, VAL1013D, VAL1035D, VAL1103A
• B-C: ALA1039B, ALA983B, ALA984B, ARG1042B, ARG1044B, ARG1158B, ARG1246C, ARG1256C, ASN1049B, ASN1252C, ASP1239C, ASP985B, ASP990B, CYS1248C, GLN1250C, GLU1043B, GLU1046B, GLU1050B, GLU1243C, GLU1261C, GLU1268C, GLU1269C, GLU991B, ILE1045B, ILE1113C, ILE1262C, ILE1263C, ILE1266C, LEU1048B, LEU1230C, LEU1241C, LEU1244C, LEU1260C, LYS1254C, LYS1267C, MET1041B, MET1240C, MET1245C, MET1247C, MET1255C, PHE1047B, PHE1242C, PHE1259C, PHE981B, PRO1253C, PRO1257C, PRO989B, SER1040B, SER1052B, SER1258C, SER1264C, SER1265C, SER980B, SER982B, TRP1249C, TYR1251C, TYR1280C, TYR987B, VAL1195C, VAL986B, VAL988B
• B-D: GLU1283B, GLU991D
• C-D: ARG1029D, ASN1285C, GLU1025D, GLU1027D, GLU1283C, GLU1284C, PRO1026D, SER1282C, THR1028D, TYR1281C, VAL1017D