Zinc in PDB 2xbq: Crystal Structure of Reduced Schistosoma Mansoni Thioredoxin Pre-Protein at 1.7 Angstrom

All present enzymatic activity of Crystal Structure of Reduced Schistosoma Mansoni Thioredoxin Pre-Protein at 1.7 Angstrom:
1.8.1.8;

The structure of Crystal Structure of Reduced Schistosoma Mansoni Thioredoxin Pre-Protein at 1.7 Angstrom, PDB code: 2xbq was solved by G.Boumis, A.E.Miele, D.Dimastrogiovanni, F.Angelucci, A.Bellelli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	53.84 / 1.67
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	62.143, 62.143, 58.292, 90.00, 90.00, 120.00
R / Rfree (%)	21.468 / 24.184

The binding sites of Zinc atom in the Crystal Structure of Reduced Schistosoma Mansoni Thioredoxin Pre-Protein at 1.7 Angstrom (pdb code 2xbq). 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 Reduced Schistosoma Mansoni Thioredoxin Pre-Protein at 1.7 Angstrom, PDB code: 2xbq:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Reduced Schistosoma Mansoni Thioredoxin Pre-Protein at 1.7 Angstrom


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 Reduced Schistosoma Mansoni Thioredoxin Pre-Protein at 1.7 Angstrom within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1107 b:13.6 occ:1.00 NE2 A:HIS20 2.0 12.9 1.0 OE1 A:GLU3 2.0 15.3 1.0 CD A:GLU3 2.7 23.2 1.0 OE2 A:GLU3 2.9 24.6 1.0 CD2 A:HIS20 3.0 14.4 1.0 CE1 A:HIS20 3.0 10.9 1.0 ND1 A:HIS20 4.1 14.8 1.0 CG A:HIS20 4.1 15.6 1.0 CG A:GLU3 4.1 23.7 1.0 CD1 A:ILE5 4.5 16.0 1.0 O A:HOH2016 4.6 17.9 1.0 CB A:GLU3 5.0 19.2 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Reduced Schistosoma Mansoni Thioredoxin Pre-Protein at 1.7 Angstrom


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 Reduced Schistosoma Mansoni Thioredoxin Pre-Protein at 1.7 Angstrom within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1108 b:21.4 occ:1.00 OXT A:ILE106 2.0 16.5 1.0 OXT B:ILE106 2.0 16.0 1.0 O B:ILE106 2.5 16.6 1.0 O A:ILE106 2.5 16.1 1.0 C B:ILE106 2.6 16.1 1.0 C A:ILE106 2.6 15.1 1.0 O A:HOH2062 3.0 40.1 1.0 O A:HOH2064 3.4 36.0 1.0 O A:HOH2063 3.6 40.7 1.0 O A:HOH2061 4.0 30.4 1.0 CA A:ILE106 4.1 14.7 1.0 CA B:ILE106 4.1 15.8 1.0 O B:HOH2073 4.2 27.7 1.0 CG1 A:ILE106 4.7 12.9 1.0 CB A:ILE106 4.8 13.9 1.0 O B:PHE105 4.9 14.8 1.0 CB B:ILE106 4.9 15.6 1.0 NZ A:LYS82 4.9 15.1 1.0 O A:PHE105 4.9 15.3 1.0 CG2 B:ILE106 4.9 13.2 1.0 CG1 B:ILE106 5.0 16.5 1.0 N B:ILE106 5.0 14.7 1.0

G.Boumis, F.Angelucci, A.Bellelli, M.Brunori, D.Dimastrogiovanni, A.E.Miele. Structural and Functional Characterization of Schistosoma Mansoni Thioredoxin. Protein Sci. V. 20 1069 2011.
ISSN: ISSN 0961-8368
PubMed: 21465612
DOI: 10.1002/PRO.634