Zinc in PDB 7ysi: Crystal Structure of Thioredoxin 2

The structure of Crystal Structure of Thioredoxin 2, PDB code: 7ysi was solved by Y.J.Chang, H.H.Park, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.42 / 1.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	34.59, 55.01, 78.09, 90, 90, 90
R / Rfree (%)	17.5 / 18.8

The binding sites of Zinc atom in the Crystal Structure of Thioredoxin 2 (pdb code 7ysi). 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 Thioredoxin 2, PDB code: 7ysi:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 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:Zn201 b:12.3 occ:1.00 SG A:CYS8 2.3 12.7 1.0 SG A:CYS28 2.3 13.6 1.0 SG A:CYS25 2.3 11.5 1.0 SG A:CYS5 2.4 12.2 1.0 H A:CYS28 3.0 15.6 1.0 HB3 A:CYS5 3.1 14.2 1.0 HB3 A:CYS8 3.1 16.6 1.0 HB3 A:CYS25 3.1 12.2 1.0 CB A:CYS5 3.1 11.8 1.0 CB A:CYS25 3.1 10.1 1.0 HB2 A:CYS25 3.2 12.2 1.0 HB3 A:CYS28 3.2 17.0 1.0 HB2 A:CYS5 3.2 14.2 1.0 H A:CYS8 3.3 16.9 1.0 CB A:CYS8 3.3 13.8 1.0 CB A:CYS28 3.3 14.1 1.0 HB3 A:GLN27 3.6 18.1 1.0 N A:CYS28 3.7 13.0 1.0 N A:CYS8 3.8 14.1 1.0 HB3 A:ALA10 3.8 14.2 1.0 HB3 A:SER7 3.8 19.4 1.0 H A:ALA10 4.0 15.5 1.0 CA A:CYS28 4.0 12.9 1.0 HB2 A:CYS8 4.1 16.6 1.0 CA A:CYS8 4.1 13.2 1.0 HB2 A:CYS28 4.2 17.0 1.0 HB2 A:GLN30 4.2 18.5 1.0 H A:GLN30 4.2 16.0 1.0 HB2 A:ALA10 4.3 14.2 1.0 H A:GLN27 4.4 16.9 1.0 H A:HIS29 4.4 14.7 1.0 CB A:ALA10 4.5 11.8 1.0 CB A:GLN27 4.5 15.1 1.0 HD21 A:ASN12 4.5 15.1 1.0 CA A:CYS5 4.6 11.4 1.0 H A:SER7 4.6 14.9 1.0 CA A:CYS25 4.6 11.1 1.0 H A:ASP9 4.7 14.7 1.0 C A:CYS28 4.7 14.3 1.0 C A:CYS8 4.7 14.6 1.0 CB A:SER7 4.8 16.1 1.0 N A:HIS29 4.8 12.2 1.0 C A:GLN27 4.8 17.8 1.0 O A:HOH340 4.8 19.9 1.0 C A:SER7 4.8 15.6 1.0 N A:ALA10 4.8 12.9 1.0 N A:ASP9 4.9 12.3 1.0 HA A:CYS28 4.9 15.5 1.0 HA A:CYS8 4.9 15.9 1.0 HG2 A:GLN27 5.0 25.1 1.0 HA A:CYS5 5.0 13.7 1.0 HA A:CYS25 5.0 13.3 1.0 O A:HOH335 5.0 22.8 1.0

Zinc binding site 2 out of 2 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 A:Zn202 b:12.4 occ:1.00 OE2 A:GLU16 1.9 12.1 1.0 ND1 A:HIS-1 2.1 13.3 1.0 CD A:GLU16 2.9 14.4 1.0 HB3 A:HIS-1 3.0 15.0 1.0 CE1 A:HIS-1 3.0 12.8 1.0 CG A:HIS-1 3.1 11.9 1.0 HE1 A:HIS-1 3.2 15.3 1.0 OE1 A:GLU16 3.2 19.9 1.0 CB A:HIS-1 3.5 12.5 1.0 HB2 A:HIS-1 3.9 15.0 1.0 HE3 A:MET1 4.0 16.8 1.0 O A:HOH430 4.1 24.2 1.0 NE2 A:HIS-1 4.1 13.3 1.0 CD2 A:HIS-1 4.2 13.1 1.0 HB2 A:GLU16 4.2 13.6 1.0 CG A:GLU16 4.2 13.8 1.0 HB3 A:GLU16 4.3 13.6 1.0 CB A:GLU16 4.5 11.3 1.0 HE1 A:MET1 4.5 16.8 1.0 CE A:MET1 4.6 13.9 1.0 HE2 A:MET1 4.6 16.8 1.0 HG2 A:GLU16 4.7 16.6 1.0 HA A:HIS-1 4.8 12.8 1.0 CA A:HIS-1 4.8 10.6 1.0 HG3 A:GLU16 4.8 16.6 1.0 HE2 A:HIS-1 4.9 16.0 1.0

Y.J.Chang, J.H.Sung, C.S.Lee, J.H.Lee, H.H.Park. Comparison of the Structure and Activity of Thioredoxin 2 and Thioredoxin 1 From Acinetobacter Baumannii. Iucrj V. 10 147 2023.
ISSN: ESSN 2052-2525
PubMed: 36752373
DOI: 10.1107/S2052252523000404