3UA9

crystal structure of human tankyrase 2 in complex with a selective inhibitor

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 78
  • Norm. En. per Res.: -1.932
• 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	-14.239	3.3795	-139.833	-150.6925	78	5	1	6401	0	14	15

Interface residues

• A-B: ALA1112A, ALA985A, ARG1087A, ARG1094B, ARG1128A, ARG980A, ASN1037B, ASN1132A, ASN993B, ASP957B, ASP961B, ASP962B, ASP981A, CYS1001B, CYS1081B, CYS1089B, CYS1092B, GLN1070A, GLN1095B, GLN1109A, GLN1156B, GLN966B, GLN998B, GLU1138A, GLY1052A, GLY1053A, GLY1056A, GLY1074A, GLY1076A, GLY1077A, GLY1078A, GLY1127A, GLY982A, GLY983A, HIS1041B, HIS1084B, HIS1093B, HIS979A, HIS984A, ILE1040B, ILE1051A, ILE1075A, ILE1091B, ILE1153B, ILE954B, ILE956B, ILE994B, ILE997B, LEU1108A, LEU1152B, LEU955B, LEU958B, LEU995B, LYS1067A, LYS996B, LYS999B, MET1054A, PHE1055A, PHE1107A, PHE1110A, PHE965B, PRO1082B, PRO1119A, PRO960B, SER1111A, SER1130A, SER959B, THR1154B, THR953B, TYR1050A, TYR1060A, TYR1071A, TYR1090B, TYR1155B, VAL1036B, VAL1083B, VAL1125A, VAL1131A