Zinc in PDB 3uh2: Tankyrase-1 in Complexed with PJ34

All present enzymatic activity of Tankyrase-1 in Complexed with PJ34:
2.4.2.30;

The structure of Tankyrase-1 in Complexed with PJ34, PDB code: 3uh2 was solved by C.A.Kirby, T.Stams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.61 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	125.260, 43.300, 88.540, 90.00, 91.36, 90.00
R / Rfree (%)	17.5 / 21.7

The binding sites of Zinc atom in the Tankyrase-1 in Complexed with PJ34 (pdb code 3uh2). 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-1 in Complexed with PJ34, PDB code: 3uh2:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Tankyrase-1 in Complexed with PJ34


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Tankyrase-1 in Complexed with PJ34 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn2001 b:26.0 occ:1.00 ND1 A:HIS1237 2.1 31.1 1.0 SG A:CYS1242 2.3 21.8 1.0 SG A:CYS1234 2.3 24.9 1.0 SG A:CYS1245 2.3 26.1 1.0 CE1 A:HIS1237 3.0 30.8 1.0 CB A:CYS1234 3.2 21.6 1.0 CG A:HIS1237 3.2 29.3 1.0 CB A:CYS1242 3.3 18.5 1.0 CB A:CYS1245 3.3 22.4 1.0 CB A:HIS1237 3.7 26.2 1.0 N A:HIS1237 3.9 24.9 1.0 N A:CYS1245 3.9 24.4 1.0 NE2 A:HIS1237 4.2 31.0 1.0 CA A:CYS1245 4.2 22.7 1.0 CD2 A:HIS1237 4.3 31.1 1.0 CA A:HIS1237 4.4 25.1 1.0 CB A:THR1236 4.6 32.1 1.0 CA A:CYS1234 4.6 22.1 1.0 CA A:CYS1242 4.7 19.0 1.0 CB A:ILE1244 4.8 26.9 1.0 C A:THR1236 4.8 29.9 1.0 O A:HOH36 4.9 21.6 1.0 N A:THR1236 5.0 26.0 1.0

Zinc binding site 2 out of 2 in the Tankyrase-1 in Complexed with PJ34


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Tankyrase-1 in Complexed with PJ34 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn2001 b:28.8 occ:1.00 ND1 B:HIS1237 2.1 32.9 1.0 SG B:CYS1242 2.2 26.1 1.0 SG B:CYS1234 2.3 25.5 1.0 SG B:CYS1245 2.3 28.6 1.0 CE1 B:HIS1237 3.1 31.8 1.0 CB B:CYS1234 3.2 22.5 1.0 CG B:HIS1237 3.2 31.5 1.0 CB B:CYS1245 3.2 24.4 1.0 CB B:CYS1242 3.3 22.0 1.0 CB B:HIS1237 3.5 28.8 1.0 N B:HIS1237 3.7 29.0 1.0 N B:CYS1245 4.0 22.4 1.0 O B:HOH95 4.2 25.0 1.0 CA B:HIS1237 4.2 28.3 1.0 CA B:CYS1245 4.2 23.2 1.0 NE2 B:HIS1237 4.2 31.9 1.0 CD2 B:HIS1237 4.3 31.9 1.0 O B:HOH66 4.3 41.4 1.0 CB B:THR1236 4.6 36.5 1.0 CA B:CYS1234 4.6 23.9 1.0 CB B:ILE1244 4.7 21.8 1.0 CA B:CYS1242 4.7 22.1 1.0 C B:THR1236 4.7 36.3 1.0 CA B:THR1236 4.9 31.4 1.0 N B:THR1236 4.9 31.7 1.0 C B:ILE1244 5.0 23.4 1.0

C.A.Kirby, A.Cheung, A.Fazal, M.D.Shultz, T.Stams. Structure of Human Tankyrase 1 in Complex with Small-Molecule Inhibitors PJ34 and XAV939. Acta Crystallogr.,Sect.F V. 68 115 2012.
ISSN: ESSN 1744-3091
PubMed: 22297980
DOI: 10.1107/S1744309111051219