3L97

structural determination of the a50t:s279g:s280k:v281k:k282e:h283n variant of citrate synthase from e. coli complexed with s- carboxymethyl-coa

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 438
  • Norm. En. per Res.: -5.0228
• Hub Node: A(1)

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	-366.5726	43.0856	-1876.48	-2199.967	438	179	55	72725	14	131	141

Interface residues

• A-B: ALA1005B, ALA1014B, ALA1077B, ALA1123B, ALA1132B, ALA1140B, ALA1142B, ALA1143B, ALA1233B, ALA123A, ALA1241B, ALA1246B, ALA1250B, ALA1253B, ALA1254B, ALA1257B, ALA1263B, ALA1267B, ALA132A, ALA1406B, ALA140A, ALA142A, ALA143A, ALA14A, ALA233A, ALA241A, ALA246A, ALA250A, ALA253A, ALA254A, ALA257A, ALA263A, ALA267A, ALA270A, ALA406A, ALA77A, ARG1032B, ARG1069B, ARG109A, ARG1109B, ARG1119B, ARG1125B, ARG1126B, ARG119A, ARG1239B, ARG125A, ARG126A, ARG1299B, ARG1306B, ARG1407B, ARG1409B, ARG1418B, ARG1426B, ARG217A, ARG239A, ARG299A, ARG306A, ARG32A, ARG387A, ARG407A, ARG409A, ARG418A, ARG426A, ARG69A, ASN1010B, ASN1081B, ASN1091B, ASN10A, ASN1152B, ASN1153B, ASN1189B, ASN1232B, ASN1247B, ASN1268B, ASN1295B, ASN152A, ASN153A, ASN189A, ASN232A, ASN247A, ASN268A, ASN81A, ASN91A, ASP1002B, ASP1012B, ASP1018B, ASP101A, ASP1027B, ASP1030B, ASP1043B, ASP1074B, ASP1079B, ASP1101B, ASP1127B, ASP1147B, ASP1150B, ASP1190B, ASP127A, ASP1296B, ASP12A, ASP1401B, ASP1419B, ASP1423B, ASP147A, ASP150A, ASP18A, ASP190A, ASP27A, ASP2A, ASP30A, ASP401A, ASP419A, ASP423A, ASP43A, ASP74A, ASP79A, CYS1052B, CYS1135B, CYS1251B, CYS135A, CYS251A, CYS52A, GLN1026B, GLN1075B, GLN1097B, GLN1099B, GLN1116B, GLN116A, GLN1231B, GLN1410B, GLN231A, GLN26A, GLN410A, GLN75A, GLN97A, GLN99A, GLU1016B, GLU102A, GLU1053B, GLU1084B, GLU1093B, GLU1098B, GLU1102B, GLU115A, GLU1230B, GLU1269B, GLU1397B, GLU1416B, GLU230A, GLU269A, GLU397A, GLU416A, GLU53A, GLU84A, GLU93A, GLU98A, GLY1011B, GLY1022B, GLY1025B, GLY1035B, GLY1038B, GLY1045B, GLY1070B, GLY1092B, GLY1136B, GLY1139B, GLY11A, GLY1242B, GLY1245B, GLY1255B, GLY1261B, GLY1265B, GLY1266B, GLY136A, GLY139A, GLY1414B, GLY22A, GLY242A, GLY245A, GLY255A, GLY25A, GLY261A, GLY265A, GLY266A, GLY35A, GLY38A, GLY414A, GLY45A, GLY61A, GLY70A, GLY92A, HIS1068B, HIS1114B, HIS1122B, HIS1129B, HIS1146B, HIS114A, HIS1156B, HIS122A, HIS1264B, HIS129A, HIS1305B, HIS1394B, HIS146A, HIS156A, HIS229A, HIS264A, HIS305A, HIS394A, HIS68A, ILE1029B, ILE1031B, ILE1056B, ILE1059B, ILE1065B, ILE1073B, ILE1088B, ILE1117B, ILE1137B, ILE117A, ILE1256B, ILE137A, ILE1405B, ILE1424B, ILE224A, ILE256A, ILE29A, ILE31A, ILE405A, ILE424A, ILE56A, ILE59A, ILE65A, ILE73A, ILE88A, LEU1007B, LEU1009B, LEU1017B, LEU1020B, LEU1024B, LEU1034B, LEU1066B, LEU1067B, LEU1076B, LEU1083B, LEU1120B, LEU1141B, LEU1149B, LEU120A, LEU1259B, LEU1300B, LEU1411B, LEU141A, LEU149A, LEU17A, LEU191A, LEU20A, LEU24A, LEU259A, LEU34A, LEU411A, LEU66A, LEU67A, LEU76A, LEU7A, LEU83A, LEU9A, LYS1004B, LYS1006B, LYS1021B, LYS1037B, LYS104A, LYS1055B, LYS1094B, LYS1104B, LYS1273B, LYS1404B, LYS1417B, LYS1421B, LYS1425B, LYS21A, LYS37A, LYS404A, LYS417A, LYS421A, LYS425A, LYS4A, LYS55A, LYS6A, LYS94A, MET1131B, MET1134B, MET131A, MET134A, MET1398B, MET1403B, MET403A, PHE103A, PHE1040B, PHE1042B, PHE1046B, PHE1058B, PHE1071B, PHE1103B, PHE1121B, PHE1124B, PHE1144B, PHE121A, PHE1249B, PHE124A, PHE1420B, PHE144A, PHE249A, PHE40A, PHE420A, PHE42A, PHE46A, PHE58A, PHE71A, PRO1044B, PRO1072B, PRO1095B, PRO1130B, PRO1248B, PRO1262B, PRO130A, PRO1408B, PRO248A, PRO262A, PRO408A, PRO44A, PRO72A, PRO95A, SER1036B, SER1048B, SER1051B, SER1054B, SER1080B, SER1128B, SER1148B, SER1192B, SER1234B, SER1236B, SER1243B, SER1244B, SER1258B, SER128A, SER1377B, SER1422B, SER148A, SER192A, SER234A, SER236A, SER243A, SER244A, SER258A, SER36A, SER422A, SER48A, SER51A, SER54A, SER80A, THR1003B, THR1008B, THR1013B, THR1023B, THR1033B, THR1041B, THR1047B, THR1049B, THR1050B, THR1057B, THR105A, THR106A, THR1078B, THR108A, THR1096B, THR1105B, THR1106B, THR1108B, THR1118B, THR1138B, THR118A, THR1235B, THR1237B, THR1240B, THR138A, THR13A, THR1413B, THR235A, THR237A, THR23A, THR240A, THR33A, THR3A, THR413A, THR41A, THR47A, THR49A, THR50A, THR57A, THR78A, THR8A, THR96A, TRP1260B, TRP260A, TYR100A, TYR1087B, TYR1100B, TYR1145B, TYR1178B, TYR1412B, TYR1415B, TYR145A, TYR178A, TYR193A, TYR412A, TYR415A, TYR87A, VAL1015B, VAL1019B, VAL1028B, VAL1039B, VAL107A, VAL1085B, VAL1133B, VAL1151B, VAL1238B, VAL1307B, VAL133A, VAL151A, VAL15A, VAL19A, VAL238A, VAL28A, VAL307A, VAL39A, VAL85A