Zinc in PDB 3f3q: Crystal Structure of the Oxidised Form of Thioredoxin 1 From Saccharomyces Cerevisiae

The structure of Crystal Structure of the Oxidised Form of Thioredoxin 1 From Saccharomyces Cerevisiae, PDB code: 3f3q was solved by Y.R.Zhang, R.Bao, C.Z.Zhou, Y.X.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.85 / 1.76
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.292, 46.588, 64.200, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 24.5

The binding sites of Zinc atom in the Crystal Structure of the Oxidised Form of Thioredoxin 1 From Saccharomyces Cerevisiae (pdb code 3f3q). 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 the Oxidised Form of Thioredoxin 1 From Saccharomyces Cerevisiae, PDB code: 3f3q:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Crystal Structure of the Oxidised Form of Thioredoxin 1 From Saccharomyces Cerevisiae


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 the Oxidised Form of Thioredoxin 1 From Saccharomyces Cerevisiae within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn104 b:26.8 occ:1.00 NE2 A:HIS-4 1.9 21.2 1.0 OE2 A:GLU45 2.0 27.6 1.0 ND1 A:HIS-1 2.1 21.3 1.0 OE1 A:GLU45 2.6 26.8 1.0 CD A:GLU45 2.6 27.8 1.0 CD2 A:HIS-4 2.8 25.2 1.0 CE1 A:HIS-4 2.9 25.7 1.0 CE1 A:HIS-1 3.0 23.2 1.0 CG A:HIS-1 3.2 22.6 1.0 CB A:HIS-1 3.6 20.8 1.0 CA A:HIS-1 3.7 21.5 1.0 CG A:HIS-4 4.0 27.0 1.0 ND1 A:HIS-4 4.0 26.8 1.0 O A:HIS-2 4.0 19.3 1.0 CG A:GLU45 4.1 28.2 1.0 NE2 A:HIS-1 4.1 21.6 1.0 CD2 A:HIS-1 4.3 24.3 1.0 N A:HIS-1 4.6 19.5 1.0 C A:HIS-2 4.6 19.2 1.0 N A:HIS0 4.8 23.6 1.0 O A:HOH129 4.8 38.0 1.0 C A:HIS-1 4.9 22.6 1.0

Zinc binding site 2 out of 3 in the Crystal Structure of the Oxidised Form of Thioredoxin 1 From Saccharomyces Cerevisiae


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 the Oxidised Form of Thioredoxin 1 From Saccharomyces Cerevisiae within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn105 b:27.6 occ:1.00 NE2 A:HIS0 2.0 26.3 1.0 NE2 A:HIS-2 2.0 21.7 1.0 O A:HOH136 2.2 33.8 1.0 CE1 A:HIS0 3.0 25.2 1.0 CD2 A:HIS0 3.0 25.9 1.0 CE1 A:HIS-2 3.0 21.2 1.0 CD2 A:HIS-2 3.0 20.6 1.0 CB A:PRO48 3.8 32.5 1.0 ND1 A:HIS0 4.1 26.8 1.0 CG A:HIS0 4.1 26.8 1.0 ND1 A:HIS-2 4.1 18.3 1.0 CG A:HIS-2 4.2 18.5 1.0 CG A:PRO48 4.5 31.6 1.0 O A:HOH168 4.5 37.4 1.0

Zinc binding site 3 out of 3 in the Crystal Structure of the Oxidised Form of Thioredoxin 1 From Saccharomyces Cerevisiae


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 the Oxidised Form of Thioredoxin 1 From Saccharomyces Cerevisiae within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn106 b:35.3 occ:1.00 NE2 A:HIS-3 2.1 26.1 1.0 O A:HOH181 2.3 18.5 1.0 ND1 A:HIS-5 2.4 42.0 1.0 CD2 A:HIS-3 3.0 25.0 1.0 CE1 A:HIS-3 3.1 25.0 1.0 CG A:HIS-5 3.2 39.5 1.0 CE1 A:HIS-5 3.2 43.1 1.0 CB A:HIS-5 3.5 36.5 1.0 ND1 A:HIS-3 4.1 27.0 1.0 CG A:HIS-3 4.2 23.4 1.0 NE2 A:HIS-5 4.2 42.0 1.0 CD2 A:HIS-5 4.2 42.2 1.0 CA A:HIS-5 4.2 35.5 1.0

R.Bao, Y.R.Zhang, X.Lou, C.Z.Zhou, Y.X.Chen. Structural and Kinetic Analysis of Saccharomyces Cerevisiae Thioredoxin TRX1: Implications For the Catalytic Mechanism of Gssg Reduced By the Thioredoxin System Biochim.Biophys.Acta V.1794 1218 2009.
ISSN: ISSN 0006-3002
PubMed: 19362171
DOI: 10.1016/J.BBAPAP.2009.04.001