3F5P

complex structure of insulin-like growth factor receptor and 3- cyanoquinoline inhibitor

• Total interactions analyzed: 120
• Total true interactions: 35
• Strongest Interaction:
  • Chains: J-S
  • Int. Res.: 65
  • Norm. En. per Res.: -3.0129
• Hub Node: C(6)

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	-8.0561	-0.4801	-140.083	-148.6192	58	5	1	5744	0	18	24
A-K	-2.8424	-7.4509	-3.7551	-14.0483	5	0	0	116	2	3	4
A-R	0.0	41.4538	-23.6869	17.7669	25	2	0	1129	1	18	19
B-C	0.0	0.0	-0.0008	-0.0008	2	0	0	2	0	2	3
B-H	0.0	4.6184	-1.8812	2.7372	7	0	0	155	0	4	13
B-J	-20.8362	12.6497	-112.28	-120.4665	60	13	0	5397	0	17	14
B-R	0.0	13.1939	-11.0916	2.1023	27	0	0	882	1	16	20
C-D	0.0	3.2654	-141.217	-137.9516	59	3	1	5828	1	19	23
C-H	0.0	0.6849	-149.754	-149.0691	64	6	1	6052	0	18	24
C-I	0.0	35.5965	-21.8472	13.7493	15	1	0	706	0	10	11
C-J	0.0	-0.8059	-0.0201	-0.8261	5	0	0	3	0	6	8
C-L	0.0	0.0	-1.2053	-1.2053	8	0	0	70	0	2	3
C-R	0.0	0.0	-0.0579	-0.0579	5	0	0	11	0	0	0
D-G	0.0	-1.2581	-144.414	-145.6721	62	4	1	5845	0	18	24
D-I	0.0	-0.8302	-0.1001	-0.9303	6	0	0	15	0	7	11
D-J	0.0	6.2785	-1.332	4.9465	3	0	0	123	0	3	3
D-S	0.0	0.0	-0.2138	-0.2138	2	0	0	42	0	3	3
D-T	0.0	0.0	-1.2581	-1.2581	4	0	0	171	0	4	4
E-F	-5.1699	3.9951	-154.397	-155.5718	61	2	1	6039	1	18	23
E-S	-12.9495	3.6783	-106.249	-115.5202	61	12	0	5347	0	15	16
F-J	0.0	0.0	-0.7703	-0.7703	7	0	0	47	0	2	3
F-S	0.0	0.0	-0.0323	-0.0323	4	0	0	19	0	0	0
G-H	0.0	-5.233	-142.119	-147.352	60	4	1	5848	1	18	24
G-J	0.0	3.6104	-5.1591	-1.5487	7	0	0	167	0	4	8
G-S	-11.0329	3.1889	-78.0215	-85.8656	39	5	0	3725	2	27	23
H-J	0.0	-5.6233	-1.1972	-6.8206	7	0	0	97	0	3	6
H-R	-47.098	18.9403	-112.211	-140.3687	60	11	0	5206	0	14	15
I-J	-4.7899	2.8527	-151.201	-153.1382	60	3	1	5949	0	18	24
I-T	-4.7772	0.7857	-149.205	-153.1964	61	5	1	6206	1	18	24
J-S	-21.7614	-8.8721	-165.208	-195.8415	65	12	1	6399	2	18	24
K-M	-2.6179	-4.8757	-146.833	-154.3266	61	6	2	5735	1	18	23
K-R	0.0	6.411	-146.961	-140.55	61	5	1	5847	0	17	24
M-L	0.0	3.7198	-151.89	-148.1702	60	6	1	5990	0	17	25
L-R	-3.644	-6.2788	-157.88	-167.8027	61	2	1	6088	2	18	24
S-T	-27.8143	-15.5423	-145.048	-188.4046	65	8	1	5877	1	18	23

Interface residues

• A-B: ALA1039B, ALA983B, ALA984B, ARG1042B, ARG1044B, ARG1158B, ARG1246A, ARG1256A, ASN1049B, ASN1252A, ASP1239A, ASP985B, ASP990B, CYS1248A, GLN1250A, GLU1043B, GLU1046B, GLU1050B, GLU1243A, GLU1261A, GLU1268A, GLU1269A, GLU991B, ILE1045B, ILE1113A, ILE1262A, ILE1263A, ILE1266A, LEU1109A, LEU1241A, LEU1244A, LEU1260A, LYS1254A, LYS1267A, MET1041B, MET1240A, MET1245A, MET1247A, MET1255A, PHE1242A, PHE981B, PRO1253A, PRO1257A, PRO989B, SER1040B, SER1052B, SER1258A, SER1264A, SER1265A, SER980B, SER982B, TRP1249A, TYR1251A, TYR1280A, TYR987B, VAL1195A, VAL986B, VAL988B
• A-K: GLU1027A, GLU1283K, GLU1284K, LYS1019A, THR1000A
• A-R: ARG1064R, ARG1275A, ARG1275R, ASN1058R, ASP1024R, GLU1025R, GLU1268A, GLU1271A, GLU1276A, GLU1276R, GLU1283R, GLU1284R, GLY1273A, GLY1273R, LYS1023R, LYS1267A, PHE1274A, PRO1272A, SER1282R, TYR1280A, TYR1281A, TYR1281R, VAL1022R, VAL1277A, VAL1277R
• B-C: ARG1275B, LYS998C
• B-H: ASP1024B, GLU1025B, GLU1271H, GLY1273H, LYS1023B, PRO1026B, PRO1272H
• B-J: ALA1038J, ALA1039J, ALA1105B, ARG1003J, ARG1084B, ARG1095B, ARG996J, ASN1036J, ASN1236B, ASP1146B, ASP1235B, ASP1239B, CYS1237B, GLN1007J, GLN1073J, GLU1004J, GLU1015J, GLU1037J, GLU1043J, GLU1097B, GLU1269B, GLY1006J, GLY1008J, GLY1011J, LEU1005J, LEU1076J, LEU1091B, LEU1094B, LEU1104B, LEU1109B, LEU1208B, LEU1241B, LYS1033J, LYS1111B, LYS1233B, MET1001J, MET1012J, MET1112B, MET1115B, MET1240B, PHE1010J, PHE1147B, PRO1074J, PRO1096B, PRO1106B, PRO1107B, PRO1234B, PRO1238B, SER1002J, SER1009J, SER1040J, SER1093B, SER1108B, SER1110B, THR1000J, THR1034J, TYR1014J, TYR1090B, VAL1013J, VAL1035J
• B-R: ALA995B, ASP1024B, ASP1024R, ASP990B, GLU1025B, GLU1025R, GLU1027R, GLU991B, GLU993B, GLU997R, GLY1020B, GLY1020R, ILE999R, LYS1019B, LYS1019R, LYS1023B, LYS1023R, LYS998B, LYS998R, PRO1026R, PRO989B, THR1000R, TRP992B, VAL1017R, VAL1021B, VAL1022B, VAL994B
• C-D: ALA1039D, ALA983D, ALA984D, ARG1042D, ARG1044D, ARG1246C, ARG1256C, ASN1049D, ASN1252C, ASP1239C, ASP985D, ASP990D, CYS1248C, GLN1071D, GLN1250C, GLU1043D, GLU1046D, GLU1050D, GLU1243C, GLU1261C, GLU1268C, GLU1269C, GLU991D, ILE1045D, ILE1113C, ILE1262C, ILE1263C, ILE1266C, LEU1109C, LEU1241C, LEU1244C, LEU1260C, LYS1254C, LYS1267C, MET1041D, MET1240C, MET1245C, MET1247C, MET1255C, PHE1047D, PHE1242C, PHE981D, PRO1253C, PRO1257C, PRO989D, SER1040D, SER1052D, SER1258C, SER1264C, SER1265C, SER980D, SER982D, TRP1249C, TYR1251C, TYR1280C, TYR987D, VAL1195C, VAL986D, VAL988D
• C-H: ALA1039C, ALA983C, ALA984C, ARG1042C, ARG1044C, ARG1158C, ARG1246H, ARG1256H, ASN1049C, ASN1252H, ASP1239H, ASP985C, ASP990C, CYS1248H, GLN1071C, GLN1250H, GLU1043C, GLU1046C, GLU1050C, GLU1243H, GLU1261H, GLU1268H, GLU1269H, GLU991C, ILE1045C, ILE1113H, ILE1262H, ILE1263H, ILE1266H, LEU1048C, LEU1109H, LEU1230H, LEU1241H, LEU1244H, LEU1260H, LYS1254H, LYS1267H, MET1041C, MET1240H, MET1245H, MET1247H, MET1255H, PHE1047C, PHE1242H, PHE1259H, PHE981C, PRO1253H, PRO1257H, PRO989C, SER1040C, SER1052C, SER1258H, SER1264H, SER1265H, SER980C, SER982C, TRP1249H, TYR1251H, TYR1280H, TYR987C, VAL1053C, VAL1195H, VAL986C, VAL988C
• C-I: ARG1275C, ARG1275I, GLU1268C, GLU1268I, GLU1271C, GLU1271I, GLU1276C, GLU1276I, GLY1273C, GLY1273I, MET1270C, PRO1272C, PRO1272I, TYR1281C, TYR1281I
• C-J: ASP990J, GLU1283C, GLU991J, GLU997J, LYS1023C
• C-L: ASN1236L, ASP1239L, GLN1073C, GLU1037C, LYS1233L, PRO1074C, PRO1238L, SER980C
• C-R: GLN1073R, GLU1037R, PHE981C, SER980C, SER980R
• D-G: ALA1039G, ALA983G, ALA984G, ARG1042G, ARG1044G, ARG1158G, ARG1246D, ARG1256D, ASN1049G, ASN1252D, ASP1239D, ASP985G, ASP990G, CYS1248D, GLN1071G, GLN1250D, GLU1043G, GLU1046G, GLU1050G, GLU1243D, GLU1261D, GLU1268D, GLU1269D, GLU991G, ILE1045G, ILE1113D, ILE1262D, ILE1263D, ILE1266D, LEU1109D, LEU1230D, LEU1241D, LEU1244D, LEU1260D, LYS1055G, LYS1254D, LYS1267D, MET1041G, MET1240D, MET1245D, MET1247D, MET1255D, PHE1047G, PHE1242D, PHE981G, PRO1253D, PRO1257D, PRO989G, SER1040G, SER1052G, SER1258D, SER1264D, SER1265D, SER980G, SER982G, TRP1249D, TYR1251D, TYR1280D, TYR987G, VAL1195D, VAL986G, VAL988G
• D-I: ASP1024I, ASP990D, GLU1283I, GLU991D, GLU997D, LYS1023I
• D-J: GLU1283D, GLU1283J, LYS1286D
• D-S: GLU1283S, PRO1272D
• D-T: GLU1027D, LYS1286T, PRO1026D, VAL1017D
• E-F: ALA1039F, ALA983F, ALA984F, ARG1042F, ARG1044F, ARG1158F, ARG1246E, ARG1256E, ASN1049F, ASN1252E, ASP1239E, ASP985F, ASP990F, CYS1248E, GLN1071F, GLN1250E, GLU1043F, GLU1046F, GLU1050F, GLU1243E, GLU1261E, GLU1268E, GLU1269E, GLU991F, ILE1045F, ILE1113E, ILE1262E, ILE1263E, ILE1266E, LEU1109E, LEU1230E, LEU1241E, LEU1244E, LEU1260E, LYS1254E, LYS1267E, MET1041F, MET1240E, MET1245E, MET1247E, MET1255E, PHE1047F, PHE1242E, PHE981F, PRO1253E, PRO1257E, PRO989F, SER1040F, SER1052F, SER1258E, SER1264E, SER1265E, SER980F, SER982F, TRP1249E, TYR1251E, TYR1280E, TYR987F, VAL1195E, VAL986F, VAL988F
• E-S: ALA1038S, ALA1039S, ALA1105E, ARG1003S, ARG1084E, ARG1095E, ARG996S, ASN1036S, ASN1236E, ASP1235E, ASP1239E, CYS1237E, GLN1007S, GLN1073S, GLU1004S, GLU1015S, GLU1037S, GLU1043S, GLU1097E, GLU1145E, GLY1006S, GLY1008S, GLY1011S, ILE1032S, LEU1005S, LEU1076S, LEU1091E, LEU1094E, LEU1104E, LEU1109E, LEU1208E, LYS1033S, LYS1111E, LYS1233E, MET1001S, MET1012S, MET1112E, MET1115E, MET1240E, PHE1010S, PHE1147E, PRO1074S, PRO1096E, PRO1102E, PRO1106E, PRO1107E, PRO1234E, PRO1238E, SER1002S, SER1009S, SER1040S, SER1093E, SER1108E, SER1110E, THR1000S, THR1034S, TYR1014S, TYR1090E, VAL1013S, VAL1035S, VAL1103E
• F-J: ASP1239J, CYS1237J, GLN1073F, GLU1037F, LYS1233J, PRO1238J, SER980F
• F-S: GLN1073S, GLU1037S, PHE981F, SER980F
• G-H: ALA1039H, ALA983H, ALA984H, ARG1042H, ARG1044H, ARG1158H, ARG1246G, ARG1256G, ASN1049H, ASN1252G, ASP1239G, ASP985H, ASP990H, CYS1248G, GLN1250G, GLU1043H, GLU1046H, GLU1050H, GLU1243G, GLU1261G, GLU1268G, GLU1269G, GLU991H, ILE1045H, ILE1113G, ILE1262G, ILE1263G, ILE1266G, LEU1109G, LEU1241G, LEU1244G, LEU1260G, LYS1254G, LYS1267G, MET1041H, MET1240G, MET1245G, MET1247G, MET1255G, PHE1047H, PHE1242G, PHE981H, PRO1253G, PRO1257G, PRO989H, SER1040H, SER1052H, SER1258G, SER1264G, SER1265G, SER980H, SER982H, TRP1249G, TYR1251G, TYR1280G, TYR1281G, TYR987H, VAL1195G, VAL986H, VAL988H
• G-J: GLU1271J, GLU1283G, GLU1284G, GLY1273J, MET1270J, PRO1272J, SER1282G
• G-S: ALA1018G, ALA1018S, ALA995G, ALA995S, ARG996G, ARG996S, ASP1024G, ASP1024S, GLN1071S, GLU1025G, GLU1025S, GLU1027G, GLU1027S, GLU993S, GLU997G, GLU997S, GLY1020G, GLY1020S, ILE999G, ILE999S, LYS1019G, LYS1019S, LYS1023G, LYS1023S, LYS998G, LYS998S, PRO1026G, PRO1026S, THR1000G, THR1000S, THR1028G, VAL1017G, VAL1017S, VAL1021G, VAL1021S, VAL1022G, VAL1022S, VAL994G, VAL994S
• H-J: GLU1027J, GLU1283H, LYS1019J, LYS1286H, PRO1026J, THR1000J, VAL1017J
• H-R: ALA1038R, ALA1039R, ALA1105H, ARG1003R, ARG1084H, ARG1095H, ARG996R, ASN1036R, ASN1236H, ASP1235H, ASP1239H, CYS1237H, GLN1007R, GLN1073R, GLU1004R, GLU1015R, GLU1037R, GLU1043R, GLU1097H, GLU1269H, GLU1271H, GLY1006R, GLY1008R, GLY1011R, LEU1005R, LEU1076R, LEU1091H, LEU1094H, LEU1104H, LEU1109H, LEU1208H, LEU1241H, LYS1033R, LYS1111H, LYS1233H, MET1001R, MET1012R, MET1112H, MET1115H, MET1240H, PHE1010R, PHE1147H, PRO1074R, PRO1096H, PRO1106H, PRO1107H, PRO1234H, PRO1238H, SER1002R, SER1009R, SER1040R, SER1093H, SER1108H, SER1110H, THR1000R, THR1034R, TYR1014R, TYR1090H, VAL1013R, VAL1035R
• I-J: ALA1039J, ALA983J, ALA984J, ARG1042J, ARG1044J, ARG1246I, ARG1256I, ASN1049J, ASN1252I, ASP1239I, ASP985J, ASP990J, CYS1248I, GLN1071J, GLN1250I, GLU1043J, GLU1046J, GLU1050J, GLU1243I, GLU1261I, GLU1268I, GLU1269I, GLU991J, ILE1045J, ILE1113I, ILE1262I, ILE1263I, ILE1266I, LEU1109I, LEU1241I, LEU1244I, LEU1260I, LYS1254I, LYS1267I, MET1041J, MET1240I, MET1245I, MET1247I, MET1255I, PHE1047J, PHE1242I, PHE981J, PRO1253I, PRO1257I, PRO989J, SER1040J, SER1052J, SER1258I, SER1264I, SER1265I, SER980J, SER982J, TRP1249I, TYR1251I, TYR1280I, TYR987J, VAL1053J, VAL1195I, VAL986J, VAL988J
• I-T: ALA1039I, ALA983I, ALA984I, ARG1042I, ARG1044I, ARG1158I, ARG1246T, ARG1256T, ASN1049I, ASN1252T, ASP1239T, ASP985I, ASP990I, CYS1248T, GLN1071I, GLN1250T, GLU1043I, GLU1046I, GLU1050I, GLU1243T, GLU1261T, GLU1268T, GLU1269T, GLU991I, ILE1045I, ILE1113T, ILE1262T, ILE1263T, ILE1266T, LEU1109T, LEU1241T, LEU1244T, LEU1260T, LYS1055I, LYS1254T, LYS1267T, MET1041I, MET1240T, MET1245T, MET1247T, MET1255T, PHE1047I, PHE1242T, PHE981I, PRO1253T, PRO1257T, PRO989I, SER1040I, SER1052I, SER1258T, SER1264T, SER1265T, SER980I, SER982I, TRP1249T, TYR1251T, TYR1280T, TYR987I, VAL1195T, VAL986I, VAL988I
• J-S: ALA1039S, ALA983S, ALA984S, ARG1042S, ARG1044S, ARG1158S, ARG1246J, ARG1256J, ASN1049S, ASN1252J, ASP1239J, ASP985S, ASP990S, CYS1248J, GLN1071S, GLN1250J, GLU1043S, GLU1046S, GLU1050S, GLU1162S, GLU1243J, GLU1261J, GLU1268J, GLU1269J, GLU991S, GLU993S, ILE1045S, ILE1113J, ILE1262J, ILE1263J, ILE1266J, LEU1048S, LEU1109J, LEU1241J, LEU1244J, LEU1260J, LYS1254J, LYS1267J, MET1041S, MET1240J, MET1245J, MET1247J, MET1255J, PHE1047S, PHE1242J, PHE981S, PRO1253J, PRO1257J, PRO989S, SER1040S, SER1052S, SER1258J, SER1264J, SER1265J, SER980S, SER982S, THR1163J, TRP1249J, TYR1251J, TYR1280J, TYR1281J, TYR987S, VAL1195J, VAL986S, VAL988S
• K-M: ALA1039M, ALA983M, ALA984M, ARG1042M, ARG1044M, ARG1246K, ARG1256K, ASN1049M, ASN1252K, ASP1239K, ASP985M, ASP990M, CYS1248K, GLN1071M, GLN1250K, GLU1043M, GLU1046M, GLU1050M, GLU1243K, GLU1261K, GLU1268K, GLU1269K, GLU991M, ILE1045M, ILE1113K, ILE1262K, ILE1263K, ILE1266K, LEU1048M, LEU1109K, LEU1241K, LEU1244K, LEU1260K, LYS1254K, LYS1267K, MET1041M, MET1240K, MET1245K, MET1247K, MET1255K, PHE1047M, PHE1242K, PHE981M, PRO1253K, PRO1257K, PRO989M, SER1040M, SER1052M, SER1258K, SER1264K, SER1265K, SER980M, SER982M, TRP1249K, TYR1251K, TYR1280K, TYR1281K, TYR987M, VAL1195K, VAL986M, VAL988M
• K-R: ALA1039K, ALA983K, ALA984K, ARG1042K, ARG1044K, ARG1158K, ARG1246R, ARG1256R, ASN1049K, ASN1252R, ASP1239R, ASP985K, ASP990K, CYS1248R, GLN1071K, GLN1250R, GLU1043K, GLU1046K, GLU1050K, GLU1243R, GLU1261R, GLU1268R, GLU1269R, GLU991K, ILE1045K, ILE1113R, ILE1262R, ILE1263R, ILE1266R, LEU1048K, LEU1109R, LEU1241R, LEU1244R, LEU1260R, LYS1254R, LYS1267R, MET1041K, MET1240R, MET1245R, MET1247R, MET1255R, PHE1047K, PHE1242R, PHE981K, PRO1238R, PRO1257R, PRO989K, SER1040K, SER1052K, SER1258R, SER1264R, SER1265R, SER980K, SER982K, TRP1249R, TYR1251R, TYR1280R, TYR987K, VAL1195R, VAL986K, VAL988K
• M-L: ALA1039L, ALA983L, ALA984L, ARG1042L, ARG1044L, ARG1158L, ARG1246M, ARG1256M, ASN1049L, ASN1252M, ASP1239M, ASP985L, ASP990L, CYS1248M, GLN1071L, GLN1250M, GLU1043L, GLU1046L, GLU1050L, GLU1243M, GLU1261M, GLU1268M, GLU1269M, GLU991L, ILE1045L, ILE1113M, ILE1262M, ILE1263M, ILE1266M, LEU1048L, LEU1109M, LEU1241M, LEU1244M, LEU1260M, LYS1254M, LYS1267M, MET1041L, MET1240M, MET1245M, MET1247M, MET1255M, PHE1047L, PHE1242M, PHE981L, PRO1257M, PRO989L, SER1040L, SER1052L, SER1258M, SER1264M, SER1265M, SER980L, SER982L, TRP1249M, TYR1251M, TYR1280M, TYR987L, VAL1195M, VAL986L, VAL988L
• L-R: ALA1039R, ALA983R, ALA984R, ARG1042R, ARG1044R, ARG1246L, ARG1256L, ASN1049R, ASN1252L, ASP1239L, ASP985R, ASP990R, CYS1248L, GLN1071R, GLN1250L, GLU1043R, GLU1046R, GLU1050R, GLU1243L, GLU1261L, GLU1268L, GLU1269L, GLU991R, ILE1045R, ILE1113L, ILE1262L, ILE1263L, ILE1266L, LEU1048R, LEU1109L, LEU1241L, LEU1244L, LEU1260L, LYS1254L, LYS1267L, MET1041R, MET1240L, MET1245L, MET1247L, MET1255L, PHE1047R, PHE1242L, PHE981R, PRO1253L, PRO1257L, PRO989R, SER1040R, SER1052R, SER1258L, SER1264L, SER1265L, SER980R, SER982R, TRP1249L, TYR1251L, TYR1280L, TYR1281L, TYR987R, VAL1195L, VAL986R, VAL988R
• S-T: ALA1039T, ALA983T, ALA984T, ARG1042T, ARG1044T, ARG1158T, ARG1246S, ARG1256S, ASN1049T, ASN1252S, ASP1239S, ASP985T, ASP990T, CYS1248S, GLN1071T, GLN1250S, GLU1043T, GLU1046T, GLU1050T, GLU1162T, GLU1243S, GLU1261S, GLU1268S, GLU1269S, GLU991T, GLU993T, ILE1045T, ILE1113S, ILE1262S, ILE1263S, ILE1266S, LEU1109S, LEU1241S, LEU1244S, LEU1260S, LYS1254S, LYS1267S, MET1041T, MET1240S, MET1245S, MET1247S, MET1255S, PHE1047T, PHE1242S, PHE1259S, PHE981T, PRO1253S, PRO1257S, PRO989T, SER1040T, SER1052T, SER1258S, SER1264S, SER1265S, SER980T, SER982T, THR1163S, TRP1249S, TYR1251S, TYR1280S, TYR1281S, TYR987T, VAL1195S, VAL986T, VAL988T