Zinc in PDB 8b6m: Tankyrase 2 in Complex with An Inhibitor

All present enzymatic activity of Tankyrase 2 in Complex with An Inhibitor:
2.4.2.30;

The structure of Tankyrase 2 in Complex with An Inhibitor, PDB code: 8b6m was solved by C.Bosetti, S.T.Sowa, L.Lehtio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.69 / 1.60
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	90.57, 97.37, 119.24, 90, 90, 90
R / Rfree (%)	18.5 / 21.9

The binding sites of Zinc atom in the Tankyrase 2 in Complex with An Inhibitor (pdb code 8b6m). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Tankyrase 2 in Complex with An Inhibitor, PDB code: 8b6m:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Tankyrase 2 in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Tankyrase 2 in Complex with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1204 b:27.3 occ:1.00 ND1 A:HIS1084 2.1 24.6 1.0 SG A:CYS1081 2.3 27.3 1.0 SG A:CYS1089 2.3 26.7 1.0 SG A:CYS1092 2.3 27.9 1.0 CE1 A:HIS1084 3.0 33.6 1.0 CG A:HIS1084 3.2 31.6 1.0 CB A:CYS1081 3.2 25.8 1.0 CB A:CYS1089 3.3 24.6 1.0 CB A:CYS1092 3.3 24.9 1.0 CB A:HIS1084 3.6 29.0 1.0 N A:CYS1092 3.9 24.4 1.0 N A:HIS1084 3.9 29.2 1.0 NE2 A:HIS1084 4.1 33.0 1.0 CA A:CYS1092 4.2 23.2 1.0 O A:HOH1373 4.2 35.3 1.0 CD2 A:HIS1084 4.2 31.2 1.0 CA A:HIS1084 4.4 28.1 1.0 CB A:VAL1083 4.4 34.1 1.0 CA A:CYS1081 4.6 25.9 1.0 CA A:CYS1089 4.7 26.4 1.0 CB A:ILE1091 4.8 30.4 1.0 O A:HOH1312 4.8 29.0 1.0 C A:VAL1083 4.8 35.1 1.0 N A:VAL1083 4.9 32.3 1.0 CG1 A:VAL1083 4.9 37.4 1.0 CA A:VAL1083 5.0 34.4 1.0

Zinc binding site 2 out of 2 in the Tankyrase 2 in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Tankyrase 2 in Complex with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn1201 b:24.9 occ:1.00 ND1 C:HIS1084 2.1 26.8 1.0 SG C:CYS1081 2.3 23.8 1.0 SG C:CYS1092 2.3 26.4 1.0 SG C:CYS1089 2.4 25.0 1.0 CE1 C:HIS1084 3.0 27.9 1.0 CG C:HIS1084 3.1 28.0 1.0 CB C:CYS1081 3.2 22.6 1.0 CB C:CYS1092 3.3 26.3 1.0 CB C:CYS1089 3.3 21.8 1.0 CB C:HIS1084 3.5 26.2 1.0 N C:HIS1084 3.9 30.7 1.0 N C:CYS1092 4.0 22.6 1.0 O C:HOH1345 4.1 38.4 1.0 NE2 C:HIS1084 4.1 30.6 1.0 CD2 C:HIS1084 4.2 28.6 1.0 CA C:CYS1092 4.2 23.2 1.0 O C:HOH1365 4.2 33.4 1.0 CB C:VAL1083 4.3 29.5 1.0 CA C:HIS1084 4.3 25.5 1.0 CA C:CYS1081 4.6 24.7 1.0 CA C:CYS1089 4.7 23.5 1.0 C C:VAL1083 4.7 31.4 1.0 CB C:ILE1091 4.8 24.1 1.0 N C:VAL1083 4.8 27.4 1.0 CA C:VAL1083 4.8 30.6 1.0 O C:HOH1312 4.9 26.6 1.0 CG1 C:VAL1083 4.9 31.7 1.0

C.Bosetti, S.T.Sowa, L.Lehtio. Tankyrase 2 in Complex with An Inhibitor To Be Published.