Zinc in PDB 3gri: The Crystal Structure of A Dihydroorotase From Staphylococcus Aureus

All present enzymatic activity of The Crystal Structure of A Dihydroorotase From Staphylococcus Aureus:
3.5.2.3;

The structure of The Crystal Structure of A Dihydroorotase From Staphylococcus Aureus, PDB code: 3gri was solved by J.S.Brunzelle, Z.Wawrzak, T.Skarina, O.Onopriyenko, A.Savchenko, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.00
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	50.217, 55.229, 85.647, 88.33, 76.56, 76.97
R / Rfree (%)	18.9 / 23.7

The structure of The Crystal Structure of A Dihydroorotase From Staphylococcus Aureus also contains other interesting chemical elements:

Chlorine	(Cl)	3 atoms
Calcium	(Ca)	4 atoms

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

Zinc binding site 1 out of 2 in the The Crystal Structure of A Dihydroorotase From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of The Crystal Structure of A Dihydroorotase From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn500 b:47.4 occ:0.70 NE2 A:HIS58 2.1 35.2 1.0 OD1 A:ASP303 2.3 25.5 1.0 O A:HOH658 2.3 39.2 1.0 O A:HOH491 2.4 44.3 1.0 NE2 A:HIS60 2.5 27.3 1.0 CE1 A:HIS58 2.9 34.1 1.0 CG A:ASP303 3.1 25.4 1.0 CD2 A:HIS58 3.3 30.6 1.0 CE1 A:HIS60 3.4 28.0 1.0 OD2 A:ASP303 3.5 26.7 1.0 CD2 A:HIS60 3.5 26.0 1.0 NE2 A:HIS230 3.8 19.9 1.0 CD2 A:HIS230 4.0 21.9 1.0 ND1 A:HIS58 4.1 31.1 1.0 CB A:ASP303 4.2 24.5 1.0 CG A:HIS58 4.3 28.5 1.0 ND1 A:HIS60 4.6 27.7 1.0 CE A:MSE90 4.6 42.2 1.0 CG A:MSE90 4.7 32.4 1.0 CG A:HIS60 4.7 25.8 1.0 CA A:ASP303 4.7 24.1 1.0 OD1 A:ASP150 4.7 32.6 1.0 OD2 A:ASP150 4.7 33.2 1.0 ND1 A:HIS177 5.0 26.0 1.0

Zinc binding site 2 out of 2 in the The Crystal Structure of A Dihydroorotase From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of The Crystal Structure of A Dihydroorotase From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn500 b:42.6 occ:0.70 OD1 B:ASP303 2.0 33.3 1.0 NE2 B:HIS60 2.1 33.6 1.0 NE2 B:HIS58 2.2 32.1 1.0 O B:HOH492 2.7 44.6 1.0 CG B:ASP303 3.0 29.9 1.0 CE1 B:HIS60 3.0 31.1 1.0 CE1 B:HIS58 3.1 32.9 1.0 CD2 B:HIS58 3.2 29.9 1.0 CD2 B:HIS60 3.2 30.4 1.0 OD2 B:ASP303 3.5 32.5 1.0 NE2 B:HIS230 4.0 20.9 1.0 CD2 B:HIS230 4.2 21.4 1.0 ND1 B:HIS60 4.2 29.2 1.0 ND1 B:HIS58 4.2 29.8 1.0 CB B:ASP303 4.2 28.0 1.0 OD2 B:ASP150 4.3 37.1 1.0 CG B:HIS58 4.3 27.4 1.0 CG B:HIS60 4.3 27.8 1.0 OD1 B:ASP150 4.5 35.7 1.0 CE B:MSE90 4.5 43.3 1.0 CG B:MSE90 4.5 32.3 1.0 CA B:ASP303 4.7 27.6 1.0 CG B:ASP150 4.7 35.6 1.0 O B:HOH558 4.9 28.3 1.0

J.S.Brunzelle, Z.Wawrzak, T.Skarina, O.Onopriyenko, A.Savchenko, W.F.Anderson. The Crystal Structure of A Dihydroorotase From Staphylococcus Aureus To Be Published.