Zinc in PDB 2cs7: 1.2 A Crystal Structure of the S. Pneumoniae Phta Histidine Triad Domain A Novel Zinc Binding Fold

The structure of 1.2 A Crystal Structure of the S. Pneumoniae Phta Histidine Triad Domain A Novel Zinc Binding Fold, PDB code: 2cs7 was solved by A.Riboldi-Tunnicliffe, N.W.Isaacs, T.J.Mitchell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	72.55 / 1.20
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	62.182, 35.895, 72.541, 90.00, 90.01, 90.00
R / Rfree (%)	11.2 / 13.5

The binding sites of Zinc atom in the 1.2 A Crystal Structure of the S. Pneumoniae Phta Histidine Triad Domain A Novel Zinc Binding Fold (pdb code 2cs7). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the 1.2 A Crystal Structure of the S. Pneumoniae Phta Histidine Triad Domain A Novel Zinc Binding Fold, PDB code: 2cs7:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the 1.2 A Crystal Structure of the S. Pneumoniae Phta Histidine Triad Domain A Novel Zinc Binding Fold


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of 1.2 A Crystal Structure of the S. Pneumoniae Phta Histidine Triad Domain A Novel Zinc Binding Fold within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:6.9 occ:1.00 OD2 A:ASP7 2.0 7.5 1.0 ND1 A:HIS28 2.0 6.6 1.0 NE2 A:HIS33 2.0 6.3 1.0 NE2 A:HIS31 2.0 6.6 1.0 CG A:ASP7 2.8 8.9 1.0 CE1 A:HIS28 3.0 7.8 1.0 CE1 A:HIS31 3.0 6.9 1.0 CE1 A:HIS33 3.0 9.3 1.0 OD1 A:ASP7 3.0 10.6 1.0 CD2 A:HIS33 3.0 7.5 1.0 CG A:HIS28 3.1 7.4 1.0 CD2 A:HIS31 3.1 5.7 1.0 CB A:HIS28 3.5 6.7 1.0 O C:HOH240 4.1 24.0 1.0 NE2 A:HIS28 4.1 8.6 1.0 ND1 A:HIS31 4.1 6.8 1.0 ND1 A:HIS33 4.1 10.2 1.0 CG A:HIS33 4.2 6.6 1.0 CD2 A:HIS28 4.2 7.8 1.0 CG A:HIS31 4.2 6.5 1.0 CB A:ASP7 4.2 9.0 1.0 O A:HIS28 4.4 6.8 1.0 CE1 C:HIS33 4.6 8.9 1.0 CB A:TYR9 4.6 8.3 1.0 CA A:HIS28 4.7 6.7 1.0 C A:HIS28 4.8 6.8 1.0 O C:HOH225 4.8 21.5 1.0 OG1 A:THR5 4.8 7.7 1.0 O A:ASP7 4.8 10.5 1.0 CG C:ASP7 4.8 9.1 1.0 OD2 C:ASP7 4.8 7.8 1.0 OD1 C:ASP7 5.0 10.8 1.0

Zinc binding site 2 out of 3 in the 1.2 A Crystal Structure of the S. Pneumoniae Phta Histidine Triad Domain A Novel Zinc Binding Fold


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of 1.2 A Crystal Structure of the S. Pneumoniae Phta Histidine Triad Domain A Novel Zinc Binding Fold within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn202 b:6.9 occ:1.00 OD2 B:ASP7 2.0 7.5 1.0 ND1 B:HIS28 2.0 6.5 1.0 NE2 B:HIS33 2.0 6.2 1.0 NE2 B:HIS31 2.0 6.7 1.0 CG B:ASP7 2.8 8.5 1.0 CE1 B:HIS28 3.0 8.0 1.0 CE1 B:HIS31 3.0 6.6 1.0 CE1 B:HIS33 3.0 9.2 1.0 OD1 B:ASP7 3.0 10.5 1.0 CD2 B:HIS33 3.0 6.8 1.0 CG B:HIS28 3.1 6.7 1.0 CD2 B:HIS31 3.1 5.8 1.0 CB B:HIS28 3.5 6.6 1.0 NE2 B:HIS28 4.1 9.0 1.0 ND1 B:HIS31 4.1 6.9 1.0 ND1 B:HIS33 4.1 10.1 1.0 CG B:HIS33 4.2 6.4 1.0 CD2 B:HIS28 4.2 8.1 1.0 CG B:HIS31 4.2 6.3 1.0 CB B:ASP7 4.2 8.4 1.0 O B:HIS28 4.5 7.1 1.0 CB B:TYR9 4.6 8.4 1.0 C B:HIS28 4.8 7.0 1.0 CA B:HIS28 4.8 7.0 1.0 O B:ASP7 4.8 10.6 1.0 OG1 B:THR5 4.8 7.7 1.0

Zinc binding site 3 out of 3 in the 1.2 A Crystal Structure of the S. Pneumoniae Phta Histidine Triad Domain A Novel Zinc Binding Fold


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of 1.2 A Crystal Structure of the S. Pneumoniae Phta Histidine Triad Domain A Novel Zinc Binding Fold within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn203 b:6.9 occ:1.00 OD2 C:ASP7 2.0 7.8 1.0 ND1 C:HIS28 2.0 7.4 1.0 NE2 C:HIS31 2.0 6.7 1.0 NE2 C:HIS33 2.0 6.5 1.0 CG C:ASP7 2.8 9.1 1.0 CE1 C:HIS31 2.9 7.0 1.0 CE1 C:HIS28 3.0 7.4 1.0 CE1 C:HIS33 3.0 8.9 1.0 OD1 C:ASP7 3.0 10.8 1.0 CD2 C:HIS33 3.0 7.4 1.0 CG C:HIS28 3.1 7.2 1.0 CD2 C:HIS31 3.1 6.1 1.0 CB C:HIS28 3.5 6.3 1.0 O A:HOH239 4.1 24.2 1.0 ND1 C:HIS31 4.1 7.0 1.0 NE2 C:HIS28 4.1 8.9 1.0 ND1 C:HIS33 4.1 10.4 1.0 CG C:HIS33 4.2 6.5 1.0 CD2 C:HIS28 4.2 7.9 1.0 CG C:HIS31 4.2 6.1 1.0 CB C:ASP7 4.2 8.8 1.0 O C:HIS28 4.4 6.9 1.0 CE1 A:HIS33 4.6 9.3 1.0 CB C:TYR9 4.6 8.4 1.0 CA C:HIS28 4.7 6.7 1.0 C C:HIS28 4.8 7.0 1.0 O A:HOH224 4.8 22.3 1.0 OG1 C:THR5 4.8 8.0 1.0 O C:ASP7 4.8 10.7 1.0 OD2 A:ASP7 4.8 7.5 1.0 CG A:ASP7 4.8 8.9 1.0 OD1 A:ASP7 4.9 10.6 1.0

A.Riboldi-Tunnicliffe, N.W.Isaacs, T.J.Mitchell. 1.2 Angstroms Crystal Structure of the S. Pneumoniae Phta Histidine Triad Domain A Novel Zinc Binding Fold. Febs Lett. V. 579 5353 2005.
ISSN: ISSN 0014-5793
PubMed: 16194532
DOI: 10.1016/J.FEBSLET.2005.08.066