3KR8

human tankyrase 2 - catalytic parp domain in complex with an inhibitor xav939

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 71
  • Norm. En. per Res.: -1.6647
• 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-C	-11.0417	1.0849	-108.237	-118.1938	71	5	1	4992	0	12	15

Interface residues

• A-C: ALA1038C, ALA985A, ARG1087A, ARG1094C, ARG1128A, ARG980A, ASN1037C, ASN1132A, ASN993C, ASP957C, ASP961C, ASP981A, CYS1001C, CYS1081C, CYS1092C, GLN1070A, GLN1095C, GLN1109A, GLN1156C, GLN998C, GLU1138A, GLY1052A, GLY1053A, GLY1056A, GLY1076A, GLY1078A, GLY1127A, GLY982A, GLY983A, HIS1041C, HIS1084C, HIS1093C, HIS979A, HIS984A, ILE1040C, ILE1051A, ILE1075A, ILE1091C, ILE954C, ILE956C, ILE988A, ILE994C, LEU1108A, LEU1152C, LEU955C, LEU958C, LEU995C, LYS1067A, LYS996C, LYS999C, MET1054A, PHE1055A, PHE1107A, PHE1110A, PRO1082C, PRO1119A, PRO960C, SER1111A, SER1130A, SER959C, THR1154C, THR953C, TYR1050A, TYR1060A, TYR1071A, TYR1090C, VAL1000C, VAL1036C, VAL1083C, VAL1125A, VAL1131A