Zinc in PDB 2ppt: Crystal Structure of Thioredoxin-2

All present enzymatic activity of Crystal Structure of Thioredoxin-2:
1.8.1.8;

The structure of Crystal Structure of Thioredoxin-2, PDB code: 2ppt was solved by J.Ye, S.Chou, J.Beckwith, T.Rapoport, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.92
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	83.784, 68.184, 64.124, 90.00, 112.04, 90.00
R / Rfree (%)	20.5 / 21.9

The binding sites of Zinc atom in the Crystal Structure of Thioredoxin-2 (pdb code 2ppt). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Crystal Structure of Thioredoxin-2, PDB code: 2ppt:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Crystal Structure of Thioredoxin-2


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 Thioredoxin-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn300 b:26.9 occ:0.94 SG A:CYS37 2.3 17.7 1.0 SG A:CYS14 2.3 16.2 1.0 SG A:CYS34 2.4 15.7 1.0 SG A:CYS17 2.5 18.7 1.0 CB A:CYS34 3.0 18.3 1.0 CB A:CYS14 3.2 17.5 1.0 CB A:CYS37 3.3 16.2 1.0 CB A:CYS17 3.4 17.5 1.0 N A:CYS37 3.7 17.3 1.0 N A:CYS17 3.8 18.1 1.0 CA A:CYS37 4.1 17.7 1.0 CA A:CYS17 4.2 17.8 1.0 CA A:CYS34 4.5 18.2 1.0 CB A:GLN19 4.6 17.7 1.0 CA A:CYS14 4.6 17.3 1.0 C A:CYS37 4.6 17.4 1.0 O A:HOH332 4.6 27.6 1.0 CB A:ALA16 4.6 17.0 1.0 CB A:ALA39 4.7 19.0 1.0 N A:GLY38 4.7 17.5 1.0 C A:ALA16 4.8 18.8 1.0 N A:ALA39 4.8 19.2 1.0 C A:CYS17 4.8 18.0 1.0 CB A:ILE36 4.8 19.3 1.0 C A:ILE36 4.8 18.7 1.0 N A:GLN19 4.9 15.8 1.0 N A:GLY18 4.9 16.6 1.0 CG2 A:ILE36 5.0 18.5 1.0

Zinc binding site 2 out of 3 in the Crystal Structure of Thioredoxin-2


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 Thioredoxin-2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn301 b:28.0 occ:1.00 SG B:CYS37 2.0 21.1 1.0 SG B:CYS17 2.2 34.8 1.0 SG B:CYS34 2.2 24.5 1.0 SG B:CYS14 2.3 21.9 1.0 CB B:CYS17 2.7 27.4 1.0 CB B:CYS37 2.9 24.5 1.0 CB B:CYS34 3.1 21.2 1.0 CB B:CYS14 3.2 21.4 1.0 N B:CYS37 3.5 24.8 1.0 N B:CYS17 3.6 24.0 1.0 CA B:CYS37 3.8 24.1 1.0 CA B:CYS17 3.8 26.3 1.0 N B:GLY38 4.3 24.1 1.0 C B:CYS37 4.4 24.7 1.0 CB B:ILE36 4.5 27.7 1.0 CA B:CYS34 4.6 23.0 1.0 CB B:ALA16 4.6 21.6 1.0 C B:CYS17 4.6 25.8 1.0 O B:HOH321 4.7 22.5 1.0 CA B:CYS14 4.7 20.0 1.0 CB B:GLN19 4.7 28.6 1.0 C B:ILE36 4.7 26.4 1.0 CB B:ALA39 4.7 21.3 1.0 CG2 B:ILE36 4.7 28.8 1.0 C B:ALA16 4.7 23.6 1.0 N B:GLY18 4.7 25.3 1.0 N B:ALA39 4.7 22.1 1.0 N B:GLN19 4.9 27.4 1.0 CA B:ILE36 5.0 26.2 1.0

Zinc binding site 3 out of 3 in the Crystal Structure of Thioredoxin-2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Thioredoxin-2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn302 b:42.9 occ:0.51 OE2 B:GLU58 1.9 27.8 1.0 NE2 B:HIS111 2.1 29.1 1.0 OE1 B:GLU58 2.5 29.4 1.0 CD B:GLU58 2.5 26.8 1.0 CD2 B:HIS111 2.9 27.0 1.0 CE1 B:HIS111 3.2 28.5 1.0 CG B:GLU58 3.9 25.8 1.0 CG B:HIS111 4.0 28.0 1.0 ND1 B:HIS111 4.1 28.1 1.0 CZ B:PHE122 4.3 21.6 1.0 CE1 B:PHE122 4.3 23.7 1.0 CD2 B:LEU54 4.6 19.1 1.0 O B:HOH326 4.6 29.9 1.0 CG B:LEU54 4.7 19.7 1.0 O B:HOH327 4.8 25.4 1.0 CB B:GLU58 4.9 24.2 1.0

J.Ye, S.Chou, J.Fuselier, J.Li, J.Beckwith, T.Rapoport. Crystal Structure of Thioredoxin-2 To Be Published.