3DLS

crystal structure of human pas kinase bound to adp

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 50
  • Norm. En. per Res.: -4.369
• Hub Node: A(4)

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	-47.6459	0.0	-165.775	-213.4209	51	5	8	5867	0	1	2
A-C	-55.4836	0.0	-162.967	-218.4506	50	10	7	5930	0	0	3
A-D	-10.7368	28.1783	-121.884	-104.4425	55	2	0	4742	0	38	32
A-E	-5.4949	1.9185	-17.5774	-21.1538	17	1	0	995	0	14	15
B-C	-58.7008	0.0	-157.521	-216.2218	51	11	7	5671	0	0	2
B-E	0.0	0.0	-0.2165	-0.2165	8	0	0	39	0	9	12
C-E	-8.4291	-1.9783	-33.556	-43.9634	27	1	1	1417	0	18	17
C-F	0.0	0.0	-12.6935	-12.6935	26	0	0	591	0	17	20
D-E	0.0	-3.8769	-2.569	-6.446	21	0	0	442	0	20	23
D-F	0.0	-2.1827	-3.0014	-5.1841	26	0	0	349	0	21	24
E-F	0.0	-2.6141	-5.3615	-7.9756	28	0	0	553	0	25	26

Interface residues

• A-B: ALA1009A, ALA1170B, ALA982A, ALA989A, ALA990A, ARG1127B, ASN1177B, CYS1163B, CYS1169B, CYS991A, GLU1172B, GLU1205B, GLU1207B, GLU1208B, GLU1211B, GLU984A, GLU986A, GLY1006A, GLY1008A, GLY1011A, GLY1164B, GLY1176B, GLY987A, ILE1166B, LEU1005A, LEU1158B, LEU1174B, LEU1184B, LEU1206B, LEU985A, LEU988A, MET1002A, MET1175B, PHE1010A, PHE1159B, PHE1162B, PRO1004A, PRO1171B, PRO1178B, SER1003A, SER1007A, THR1001A, THR1161B, THR1209B, TRP1014A, TYR1160B, TYR1179B, VAL1013A, VAL1173B, VAL1210B, VAL983A
• A-C: ALA1009C, ALA1170A, ALA982C, ALA989C, ALA990C, ARG1127A, ASN1177A, CYS1163A, CYS1169A, CYS991C, GLU1172A, GLU1205A, GLU1207A, GLU1208A, GLU984C, GLU986C, GLY1006C, GLY1008C, GLY1011C, GLY1164A, GLY1176A, GLY987C, ILE1166A, LEU1005C, LEU1036A, LEU1158A, LEU1174A, LEU1184A, LEU1206A, LEU985C, LEU988C, MET1002C, MET1175A, PHE1010C, PHE1159A, PHE1162A, PRO1004C, PRO1171A, PRO1178A, SER1003C, SER1007C, THR1001C, THR1161A, THR1209A, TRP1014C, TYR1160A, TYR1179A, VAL1173A, VAL1210A, VAL983C
• A-D: ALA1054A, ALA1151A, ARG1058A, ARG1058D, ARG1155A, ASN1073D, ASP1038A, ASP1043A, ASP1043D, ASP1069D, ASP1123A, GLN1074D, GLN1078D, GLN997D, GLU1042A, GLU1042D, GLU1072A, GLU1072D, GLU1154A, GLU994D, GLY1047A, GLY1047D, GLY1075D, GLY993D, ILE1041A, ILE1053D, ILE1055A, ILE1070D, ILE1124A, LEU1046A, LEU1046D, LEU1051A, LEU1068D, LEU1079D, LEU1121A, LEU1153A, LYS1032D, LYS1045A, LYS1045D, LYS1048A, LYS1048D, LYS1122A, LYS1157A, LYS998D, PHE1071D, PHE1076D, PHE1077D, PRO1044A, PRO1044D, SER1057D, TRP1040A, TYR1152A, TYR995D, VAL1049A, VAL1049D
• A-E: ARG1155E, ASP1038A, ASP1123E, CYS1039A, GLN1074A, GLU1033A, GLU1037A, GLU1154E, GLY1075A, GLY1156E, LEU1036A, LYS1032A, LYS1034A, LYS1048A, LYS1157E, TRP1040A, VAL1035A
• B-C: ALA1009B, ALA1170C, ALA982B, ALA989B, ALA990B, ARG1127C, ASN1177C, CYS1163C, CYS1169C, CYS991B, GLU1172C, GLU1205C, GLU1207C, GLU1208C, GLU984B, GLU986B, GLY1006B, GLY1008B, GLY1011B, GLY1164C, GLY1176C, GLY987B, ILE1166C, LEU1005B, LEU1158C, LEU1174C, LEU1184C, LEU1206C, LEU985B, LEU988B, LYS1034C, MET1002B, MET1175C, PHE1010B, PHE1159C, PHE1162C, PRO1004B, PRO1171C, PRO1178C, SER1003B, SER1007B, THR1001B, THR1161C, THR1209C, TRP1014B, TYR1160C, TYR1179C, VAL1013B, VAL1173C, VAL1210C, VAL983B
• B-E: GLN1074B, GLU1033E, GLU984B, GLU984E, GLY1075B, LYS1031E, LYS1032B, LYS1048E
• C-E: ASP1043E, ASP1069E, GLN1074E, GLN997E, GLU1033C, GLU1042C, GLU1042E, GLU1072E, GLU984C, GLU992E, GLU994E, GLY1047E, ILE1041C, ILE1070E, LEU1046E, LYS1031C, LYS1032C, LYS1034C, LYS1045E, LYS1048C, LYS1048E, LYS1157C, PHE1071E, PRO1044E, TYR1160C, VAL1035C, VAL1049E
• C-F: ARG1058F, ARG1155F, ASP1043C, ASP1043F, GLN997C, GLU1042F, GLU1072C, GLU1154F, GLU992C, GLU994C, GLY1047C, GLY1156F, GLY993C, ILE1041F, LEU1046C, LYS1032C, LYS1045C, LYS1048C, LYS1048F, LYS1157F, PHE1077C, PRO1044C, PRO1044F, SER996C, TRP1040F, VAL1049C
• D-E: ALA1258D, ARG1180E, ARG1238E, ASN1022D, ASN1256D, ASN1256E, ASP1139D, GLU1020D, GLU1237E, GLU1243E, LEU1068D, LEU1257D, LYS1021D, LYS1023D, LYS1066D, LYS1244E, PRO1249E, PRO1254E, THR1141D, THR1241E, THR1247E
• D-F: ALA1258F, ARG1180D, ARG1238D, ASN1022F, ASN1256D, ASN1256F, ASP1139F, ASP1259F, GLN1253D, GLU1020F, GLU1183D, GLU1237D, GLU1243D, LEU1068F, LEU1121D, LEU1257F, LYS1021F, LYS1023F, LYS1066F, LYS1244D, PRO1249D, PRO1254D, THR1141F, THR1241D, THR1247D, THR1252D
• E-F: ALA1258E, ARG1180F, ARG1238F, ARG1239F, ASN1022E, ASN1256E, ASN1256F, ASP1139E, ASP1259E, GLN1253F, GLU1020E, GLU1082E, GLU1237F, GLU1243F, LEU1068E, LEU1257E, LYS1021E, LYS1023E, LYS1066E, LYS1143E, LYS1244F, PRO1236F, PRO1249F, PRO1254F, THR1141E, THR1241F, THR1247F, THR1252F