2B5R

1b lactamase / b lactamase inhibitor

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 133
  • Norm. En. per Res.: -3.475
• 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-C	-79.3982	-51.1707	-331.607	-462.1759	133	16	2	12707	4	38	27
A-B	0.0	-7.3564	-3.245	-10.6014	12	0	0	357	0	4	8
A-D	-11.5977	-13.1372	-52.8685	-77.6035	47	1	0	2201	0	15	9
B-D	-52.6665	-59.3457	-335.733	-447.7452	131	16	2	12624	6	36	27

Interface residues

• A-C: ALA1046C, ALA1047C, ALA1052C, ALA1054C, ALA1147C, ALA125A, ALA126A, ALA135A, ALA217A, ALA237A, ARG1043C, ARG1144C, ARG1160C, ARG164A, ARG240A, ARG243A, ARG273A, ASN100A, ASN105A, ASN132A, ASN136A, ASN170A, ASN274A, ASP101A, ASP1038C, ASP1049C, ASP1163C, ASP131A, ASP214A, ASP271A, GLN1072C, GLN1157C, GLN1161C, GLN99A, GLU1031C, GLU1073C, GLU110A, GLU1114C, GLU121A, GLU166A, GLU168A, GLU171A, GLU239A, GLU272A, GLY1033C, GLY1034C, GLY1037C, GLY1048C, GLY1057C, GLY1136C, GLY1141C, GLY1145C, GLY1158C, GLY218A, GLY236A, GLY238A, GLY241A, GLY244A, HIS1041C, HIS112A, HIS1148C, ILE1040C, ILE127A, ILE173A, LEU102A, LEU1127C, LEU1129C, LEU113A, LEU1149C, LEU169A, LEU220A, LYS1070C, LYS1074C, LYS111A, LYS1159C, LYS215A, LYS234A, LYS73A, MET117A, MET129A, MET270A, MET69A, PHE1036C, PHE1056C, PHE1058C, PHE1132C, PHE1142C, PHE1151C, PHE72A, PRO107A, PRO1117C, PRO167A, PRO219A, SER1035C, SER1039C, SER1069C, SER106A, SER1071C, SER1113C, SER1128C, SER1130C, SER1138C, SER1146C, SER124A, SER130A, SER235A, SER242A, SER70A, SER98A, THR1032C, THR1055C, THR109A, THR1126C, THR1140C, THR114A, THR1152C, THR128A, THR133A, THR269A, THR71A, TRP1112C, TRP1150C, TRP1162C, TRP165A, TYR104A, TYR1050C, TYR1051C, TYR1053C, TYR1115C, TYR1143C, VAL103A, VAL108A, VAL216A
• A-B: ALA268B, ASP271B, ASP38A, GLN267B, GLU28A, HIS26A, LEU30A, LYS34A, MET270B, PRO27A, THR269B, VAL31A
• A-D: ALA1001D, ALA1007D, ALA1046D, ALA1047D, ALA1077D, ALA268A, ALA36A, ALA42A, ARG275A, ASN1029D, ASP1135D, ASP35A, ASP38A, GLN1011D, GLN267A, GLN276A, GLN39A, GLU272A, GLU279A, GLU28A, GLU37A, GLY1002D, GLY1006D, GLY1026D, GLY1044D, GLY265A, GLY41A, HIS1045D, ILE1024D, LEU1075D, LEU40A, LYS1008D, LYS1074D, LYS286A, LYS32A, LYS34A, MET1004D, SER1138D, SER1139D, SER266A, THR1005D, THR1010D, THR1140D, THR269A, VAL1003D, VAL1134D, VAL31A
• B-D: ALA1046D, ALA1047D, ALA1052D, ALA1054D, ALA1147D, ALA125B, ALA126B, ALA135B, ALA217B, ALA237B, ARG1043D, ARG1144D, ARG1160D, ARG240B, ARG243B, ARG273B, ASN100B, ASN105B, ASN132B, ASN136B, ASN170B, ASN274B, ASP101B, ASP1038D, ASP1049D, ASP1163D, ASP131B, ASP214B, ASP271B, GLN1072D, GLN1157D, GLN1161D, GLN99B, GLU1031D, GLU1073D, GLU110B, GLU1114D, GLU121B, GLU166B, GLU168B, GLU171B, GLU239B, GLU272B, GLY1033D, GLY1034D, GLY1037D, GLY1048D, GLY1057D, GLY1141D, GLY1145D, GLY1158D, GLY218B, GLY236B, GLY238B, GLY241B, GLY244B, HIS1041D, HIS1045D, HIS112B, HIS1148D, ILE1040D, ILE127B, ILE245B, LEU102B, LEU1127D, LEU113B, LEU1149D, LEU169B, LEU220B, LYS1070D, LYS1074D, LYS111B, LYS1159D, LYS215B, LYS234B, LYS73B, MET117B, MET129B, MET270B, MET69B, PHE1036D, PHE1056D, PHE1058D, PHE1132D, PHE1142D, PHE1151D, PHE72B, PRO107B, PRO1117D, PRO167B, PRO219B, SER1035D, SER1039D, SER1069D, SER106B, SER1071D, SER1113D, SER1128D, SER1130D, SER1138D, SER1146D, SER124B, SER130B, SER235B, SER242B, SER70B, SER98B, THR1032D, THR1055D, THR109B, THR1126D, THR1140D, THR114B, THR1152D, THR128B, THR133B, THR269B, THR71B, TRP1112D, TRP1150D, TRP1162D, TRP165B, TYR104B, TYR1050D, TYR1051D, TYR1053D, TYR1115D, TYR1143D, VAL103B, VAL108B, VAL216B