Zinc in PDB 5fpg: Crystal Structure of Human Tankyrase 2 in Complex with Ta-92

The structure of Crystal Structure of Human Tankyrase 2 in Complex with Ta-92, PDB code: 5fpg was solved by T.Haikarainen, L.Lehtio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.63 / 2.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.990, 76.560, 148.830, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 25

The binding sites of Zinc atom in the Crystal Structure of Human Tankyrase 2 in Complex with Ta-92 (pdb code 5fpg). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Human Tankyrase 2 in Complex with Ta-92, PDB code: 5fpg:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Human Tankyrase 2 in Complex with Ta-92


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Human Tankyrase 2 in Complex with Ta-92 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn2162 b:45.5 occ:1.00 HD1 A:HIS1084 1.9 46.3 1.0 SG A:CYS1092 2.3 41.4 1.0 SG A:CYS1089 2.4 30.9 1.0 SG A:CYS1081 2.4 45.5 1.0 ND1 A:HIS1084 2.5 38.6 1.0 HB2 A:HIS1084 2.8 46.8 1.0 H A:HIS1084 3.1 53.2 1.0 HB2 A:CYS1092 3.2 44.2 1.0 HB2 A:CYS1089 3.2 43.1 1.0 CG A:HIS1084 3.3 41.3 1.0 HB2 A:CYS1081 3.3 49.6 1.0 H A:CYS1092 3.3 40.7 1.0 CB A:CYS1089 3.3 35.9 1.0 CB A:CYS1081 3.3 41.3 1.0 CB A:CYS1092 3.4 36.8 1.0 CB A:HIS1084 3.4 39.0 1.0 HB3 A:CYS1081 3.5 49.6 1.0 CE1 A:HIS1084 3.5 38.2 1.0 HB3 A:CYS1089 3.5 43.1 1.0 HB A:VAL1083 3.6 49.2 1.0 HE1 A:HIS1084 3.7 45.8 1.0 N A:HIS1084 3.9 44.3 1.0 HB A:ILE1091 3.9 45.9 1.0 N A:CYS1092 4.0 33.9 1.0 HB3 A:CYS1092 4.1 44.2 1.0 HB3 A:HIS1084 4.2 46.8 1.0 CA A:HIS1084 4.2 40.8 1.0 CA A:CYS1092 4.3 35.3 1.0 CD2 A:HIS1084 4.4 44.6 1.0 HB3 A:ASP1086 4.4 40.5 1.0 H A:VAL1083 4.4 53.5 1.0 NE2 A:HIS1084 4.4 42.4 1.0 H A:ILE1091 4.6 40.6 1.0 H A:ASP1086 4.6 54.3 1.0 CB A:VAL1083 4.6 41.0 1.0 CA A:CYS1089 4.8 37.5 1.0 HD13 A:ILE1091 4.8 38.7 1.0 HA A:CYS1092 4.8 42.3 1.0 CA A:CYS1081 4.8 39.7 1.0 CB A:ILE1091 4.8 38.3 1.0 H A:LYS1085 4.8 50.9 1.0 HA A:CYS1089 4.9 45.0 1.0 C A:VAL1083 4.9 39.8 1.0 HD2 A:PRO1082 5.0 54.9 1.0 H A:CYS1081 5.0 45.6 1.0 HG13 A:VAL1083 5.0 52.6 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Human Tankyrase 2 in Complex with Ta-92


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Human Tankyrase 2 in Complex with Ta-92 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn2162 b:48.7 occ:1.00 HD1 B:HIS1084 1.9 54.5 1.0 SG B:CYS1092 2.2 39.3 1.0 SG B:CYS1089 2.3 41.0 1.0 SG B:CYS1081 2.3 48.9 1.0 ND1 B:HIS1084 2.6 45.5 1.0 HB2 B:CYS1092 3.0 44.6 1.0 HB2 B:CYS1081 3.0 55.0 1.0 HB2 B:HIS1084 3.0 49.2 1.0 CB B:CYS1081 3.1 45.9 1.0 H B:HIS1084 3.2 58.7 1.0 HB3 B:CYS1081 3.2 55.0 1.0 H B:CYS1092 3.2 43.3 1.0 CB B:CYS1092 3.2 37.2 1.0 HB2 B:CYS1089 3.3 45.2 1.0 CB B:CYS1089 3.3 37.7 1.0 CG B:HIS1084 3.4 46.5 1.0 HB3 B:CYS1089 3.4 45.2 1.0 CE1 B:HIS1084 3.5 43.6 1.0 HB B:VAL1083 3.5 57.8 1.0 HE1 B:HIS1084 3.6 52.4 1.0 CB B:HIS1084 3.7 41.0 1.0 HB B:ILE1091 3.8 46.0 1.0 N B:CYS1092 3.9 36.1 1.0 HB3 B:CYS1092 3.9 44.6 1.0 N B:HIS1084 3.9 48.9 1.0 CA B:CYS1092 4.1 34.7 1.0 H B:VAL1083 4.2 53.8 1.0 HB3 B:ASP1086 4.4 47.4 1.0 CA B:HIS1084 4.4 49.5 1.0 CB B:VAL1083 4.4 48.2 1.0 HB3 B:HIS1084 4.4 49.2 1.0 NE2 B:HIS1084 4.5 52.1 1.0 CD2 B:HIS1084 4.5 53.1 1.0 H B:ILE1091 4.6 48.0 1.0 CA B:CYS1081 4.6 46.6 1.0 HA B:CYS1092 4.6 41.6 1.0 H B:ASP1086 4.6 51.4 1.0 CA B:CYS1089 4.7 38.6 1.0 CB B:ILE1091 4.7 38.3 1.0 H B:CYS1081 4.8 52.4 1.0 HD13 B:ILE1091 4.8 52.8 1.0 HG21 B:VAL1083 4.9 60.3 1.0 H B:LYS1085 4.9 56.9 1.0 HA B:CYS1089 4.9 46.4 1.0 C B:VAL1083 4.9 49.3 1.0 N B:VAL1083 5.0 44.8 1.0 C B:ILE1091 5.0 35.7 1.0

A.Nathubhai, T.Haikarainen, P.C.Hayward, S.Munoz-Descalzo, D.Tosh, M.D.Lloyd, L.Lehtio, M.D.Threadgill. Design, Synthesis and Evaluation of Novel Dual- Binding Inhibitors of the Tankyrases and Wnt Signalling. To Be Published.