3MHJ

human tankyrase 2 - catalytic parp domain in complex with 1-methyl-3- (trifluoromethyl)-5h-benzo[c][1,8]naphtyridine-6-one

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 74
  • Norm. En. per Res.: -1.9989
• 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	-17.2652	0.8408	-131.497	-147.9214	74	2	1	5687	0	13	15

Interface residues

• A-B: ALA1038A, ALA1112B, ALA985B, ARG1087B, ARG1094A, ARG1128B, ARG980B, ASN1037A, ASN1132B, ASN993A, ASP957A, ASP961A, ASP981B, CYS1001A, CYS1081A, CYS1089A, CYS1092A, GLN1070B, GLN1095A, GLN1109B, GLN1156A, GLN998A, GLU1138B, GLY1053B, GLY1056B, GLY1076B, GLY1078B, GLY1127B, GLY982B, GLY983B, HIS1041A, HIS1084A, HIS1093A, HIS979B, HIS984B, ILE1040A, ILE1051B, ILE1075B, ILE1091A, ILE1153A, ILE954A, ILE956A, ILE988B, ILE994A, LEU1108B, LEU1152A, LEU955A, LEU958A, LEU995A, LYS1067B, LYS996A, LYS999A, MET1054B, PHE1055B, PHE1107B, PHE1110B, PRO1082A, PRO1119B, PRO960A, SER1111B, SER1130B, SER959A, THR1154A, THR953A, TYR1060B, TYR1071B, TYR1073A, TYR1090A, TYR1155A, VAL1000A, VAL1036A, VAL1083A, VAL1125B, VAL1131B