1SQ5

crystal structure of e. coli pantothenate kinase

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 185
  • Norm. En. per Res.: -3.2623
• 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	-6.0154	10.3191	-71.0542	-66.7506	42	5	2	3220	4	24	21
A-C	-5.9619	5.0301	-66.883	-67.8148	44	2	1	2979	4	23	22
A-D	-34.1449	-70.2028	-499.181	-603.5287	185	22	12	19770	4	42	42
B-C	0.0	2.1199	-0.5248	1.5951	6	0	0	145	0	2	4

Interface residues

• A-B: ALA1251A, ALA1263A, ALA1270A, ALA2263B, ALA2270B, ALA2274B, ARG1248A, ASN1261A, ASN2261B, ASP1254A, ASP1256A, GLU1249A, GLU1268A, GLU2268B, GLU2269B, GLY1250A, HIS1260A, HIS2260B, LEU1245A, LEU1265A, LEU2265B, LEU2277B, LYS1264A, LYS1267A, LYS2137B, LYS2143B, LYS2264B, LYS2272B, MET2142B, PHE1252A, PHE2244B, PHE2259B, PRO1255A, THR1253A, THR1266A, THR2266B, THR2273B, THR2276B, TYR1262A, TYR2180B, TYR2258B, TYR2262B
• A-C: ALA1263A, ALA1270A, ALA1274A, ALA3251C, ALA3263C, ALA3270C, ARG3248C, ASN1261A, ASP3254C, ASP3256C, GLU1269A, GLU1280A, GLU3044C, GLU3249C, GLU3268C, GLY3250C, HIS1260A, HIS3260C, LEU1265A, LEU1277A, LEU3245C, LEU3265C, LYS1137A, LYS1143A, LYS1264A, LYS1272A, LYS3246C, LYS3264C, LYS3267C, MET1142A, PHE1244A, PHE1259A, PHE3252C, PRO1255A, PRO3255C, THR1266A, THR1273A, THR1276A, THR3253C, THR3266C, TYR1180A, TYR1258A, TYR1262A, TYR3262C
• A-D: ALA1022A, ALA1297A, ALA4022D, ALA4297D, ARG1024A, ARG1060A, ARG1071A, ARG1072A, ARG1086A, ARG1294A, ARG1296A, ARG1315A, ARG4024D, ARG4060D, ARG4071D, ARG4072D, ARG4086D, ARG4294D, ARG4296D, ARG4315D, ASN1063A, ASN1069A, ASN1083A, ASN1169A, ASN1289A, ASN4063D, ASN4069D, ASN4083D, ASN4289D, ASP1025A, ASP1162A, ASP1209A, ASP1213A, ASP1221A, ASP1224A, ASP4025D, ASP4162D, ASP4209D, ASP4213D, ASP4221D, ASP4224D, GLN1014A, GLN1019A, GLN1073A, GLN1078A, GLN1085A, GLN1205A, GLN1288A, GLN4014D, GLN4019D, GLN4073D, GLN4078D, GLN4085D, GLN4205D, GLN4288D, GLU1077A, GLU1295A, GLU4077D, GLU4295D, GLY1081A, GLY1166A, GLY1207A, GLY4081D, GLY4084D, GLY4166D, GLY4207D, HIS1154A, HIS1215A, HIS1216A, HIS4215D, HIS4216D, ILE1066A, ILE1087A, ILE1090A, ILE4066D, ILE4087D, ILE4090D, LEU1013A, LEU1023A, LEU1056A, LEU1058A, LEU1061A, LEU1062A, LEU1070A, LEU1076A, LEU1080A, LEU1163A, LEU1204A, LEU1291A, LEU1299A, LEU1314A, LEU4013D, LEU4023D, LEU4056D, LEU4058D, LEU4061D, LEU4062D, LEU4076D, LEU4080D, LEU4163D, LEU4204D, LEU4291D, LEU4299D, LEU4314D, LYS1158A, LYS1164A, LYS1316A, LYS4158D, LYS4164D, LYS4316D, MET1009A, MET1029A, MET1208A, MET4009D, MET4029D, MET4208D, PHE1015A, PHE1064A, PHE1079A, PHE1218A, PHE1222A, PHE1225A, PHE4015D, PHE4064D, PHE4079D, PHE4218D, PHE4222D, PHE4225D, PRO1011A, PRO1057A, PRO1168A, PRO1211A, PRO1214A, PRO1292A, PRO4011D, PRO4057D, PRO4168D, PRO4211D, PRO4214D, PRO4292D, SER1059A, SER1067A, SER1068A, SER1161A, SER1165A, SER1206A, SER1220A, SER1298A, SER4059D, SER4067D, SER4068D, SER4161D, SER4165D, SER4206D, SER4220D, THR1010A, THR1082A, THR1293A, THR4010D, THR4082D, THR4293D, TRP1020A, TRP4020D, TYR1012A, TYR1065A, TYR1089A, TYR1210A, TYR4012D, TYR4065D, TYR4089D, TYR4210D, VAL1075A, VAL1160A, VAL1167A, VAL1217A, VAL1219A, VAL1223A, VAL1312A, VAL4075D, VAL4160D, VAL4167D, VAL4217D, VAL4219D, VAL4223D, VAL4312D
• B-C: HIS2260B, HIS3260C, LYS2264B, LYS3264C, THR2266B, THR3266C