Zinc in PDB 4bfp: Crystal Structure of Human Tankyrase 2 in Complex with WIKI4

All present enzymatic activity of Crystal Structure of Human Tankyrase 2 in Complex with WIKI4:
2.4.2.30;

The structure of Crystal Structure of Human Tankyrase 2 in Complex with WIKI4, PDB code: 4bfp was solved by T.Haikarainen, M.Narwal, L.Lehtio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.32 / 2.40
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	88.960, 93.170, 117.050, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 25

The binding sites of Zinc atom in the Crystal Structure of Human Tankyrase 2 in Complex with WIKI4 (pdb code 4bfp). 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 WIKI4, PDB code: 4bfp:
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 WIKI4


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 WIKI4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn2165 b:34.3 occ:1.00 SG A:CYS1089 2.3 33.2 1.0 SG A:CYS1081 2.3 31.1 1.0 SG A:CYS1092 2.4 32.9 1.0 ND1 A:HIS1084 2.6 39.7 1.0 CB A:CYS1089 3.3 33.1 1.0 CG A:HIS1084 3.3 39.3 1.0 CB A:CYS1092 3.3 33.8 1.0 CB A:CYS1081 3.3 33.2 1.0 CB A:HIS1084 3.5 36.0 1.0 CE1 A:HIS1084 3.5 39.9 1.0 N A:HIS1084 3.9 35.0 1.0 N A:CYS1092 4.0 31.9 1.0 CA A:CYS1092 4.2 32.0 1.0 CD2 A:HIS1084 4.3 41.4 1.0 CA A:HIS1084 4.3 36.4 1.0 NE2 A:HIS1084 4.4 41.9 1.0 CB A:VAL1083 4.5 39.9 1.0 CA A:CYS1089 4.7 33.0 1.0 CA A:CYS1081 4.7 33.3 1.0 C A:VAL1083 4.8 37.3 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Human Tankyrase 2 in Complex with WIKI4


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 WIKI4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn2165 b:32.7 occ:1.00 ND1 B:HIS1084 2.1 40.6 1.0 SG B:CYS1092 2.2 29.6 1.0 SG B:CYS1089 2.3 31.4 1.0 SG B:CYS1081 2.4 31.6 1.0 CE1 B:HIS1084 2.9 37.6 1.0 CB B:CYS1092 3.1 34.6 1.0 CB B:CYS1081 3.2 33.5 1.0 CG B:HIS1084 3.2 37.7 1.0 CB B:CYS1089 3.3 34.1 1.0 CB B:HIS1084 3.7 36.0 1.0 N B:CYS1092 3.8 30.6 1.0 N B:HIS1084 3.9 35.5 1.0 CA B:CYS1092 4.0 34.0 1.0 NE2 B:HIS1084 4.1 39.7 1.0 CD2 B:HIS1084 4.3 37.8 1.0 O B:HOH2053 4.3 44.8 1.0 CB B:VAL1083 4.4 38.0 1.0 CA B:HIS1084 4.4 36.7 1.0 CA B:CYS1081 4.7 34.2 1.0 CA B:CYS1089 4.7 34.3 1.0 C B:VAL1083 4.8 36.3 1.0 CB B:ILE1091 4.8 36.7 1.0 N B:VAL1083 4.9 34.4 1.0 C B:ILE1091 4.9 35.0 1.0 CA B:VAL1083 4.9 33.2 1.0

T.Haikarainen, H.Venkannagari, M.Narwal, E.Obaji, H.Lee, Y.Nkizinkiko, L.Lehtio. Structural Basis and Selectivity of Tankyrase Inhibition By A Wnt Signaling Inhibitor WIKI4 Plos One V. 8 65404 2013.
ISSN: ESSN 1932-6203
PubMed: 23762361
DOI: 10.1371/JOURNAL.PONE.0065404