Chlorine 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:

Calcium	(Ca)	4 atoms
Zinc	(Zn)	2 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 3 binding sites of Chlorine where determined in the The Crystal Structure of A Dihydroorotase From Staphylococcus Aureus, PDB code: 3gri:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the The Crystal Structure of A Dihydroorotase From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl600 b:28.1 occ:1.00 O A:HOH482 2.8 28.4 1.0 OG1 A:THR125 3.2 21.1 1.0 N A:THR125 3.3 22.7 1.0 N A:ILE124 3.4 24.2 1.0 CA A:GLN128 3.7 22.3 1.0 O A:THR148 3.9 25.1 1.0 CB A:ILE124 3.9 23.6 1.0 CA A:ILE124 4.0 23.5 1.0 CB A:THR125 4.0 21.6 1.0 CB A:SER123 4.0 25.1 1.0 C A:ILE124 4.1 22.8 1.0 CA A:THR125 4.1 21.2 1.0 O A:THR125 4.1 22.0 1.0 CG A:GLN128 4.2 23.2 1.0 CB A:GLN128 4.2 22.8 1.0 CG2 A:THR125 4.2 19.9 1.0 C A:SER123 4.4 25.0 1.0 CA A:ASP149 4.4 28.9 1.0 C A:GLN128 4.4 22.4 1.0 CA A:SER123 4.5 25.4 1.0 C A:THR125 4.6 21.9 1.0 CA A:GLY153 4.6 33.5 1.0 CG1 A:ILE124 4.6 23.2 1.0 OD1 A:ASP149 4.6 31.9 1.0 N A:GLN128 4.6 22.0 1.0 CG2 A:VAL154 4.7 32.9 1.0 O A:GLN128 4.7 22.5 1.0 C A:THR148 4.7 26.0 1.0 O A:ASP150 4.8 32.2 1.0 N A:VAL154 4.8 32.8 1.0 OG A:SER123 4.9 25.7 1.0 N A:ASP150 4.9 29.9 1.0 N A:ASP149 5.0 27.2 1.0 CG2 A:ILE124 5.0 24.4 1.0 CD1 A:ILE124 5.0 22.8 1.0

Chlorine binding site 2 out of 3 in the The Crystal Structure of A Dihydroorotase From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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 A:Cl601 b:66.2 occ:1.00 O A:HOH458 2.7 23.2 1.0 OG1 A:THR85 2.7 23.2 1.0 OG1 A:THR86 3.2 24.4 1.0 OD2 A:ASP374 3.2 32.5 1.0 CB A:TYR364 3.5 29.9 1.0 CB A:ASP374 3.7 32.8 1.0 O A:HOH642 3.7 35.2 1.0 CG A:ASP374 3.8 32.8 1.0 CG2 A:VAL55 3.8 23.4 1.0 NH2 A:ARG117 3.8 33.2 1.0 CB A:THR85 3.9 22.7 1.0 CB A:THR86 4.0 23.0 1.0 O A:GLY53 4.0 23.4 1.0 CG A:TYR364 4.1 29.1 1.0 O A:HOH607 4.2 35.9 1.0 N A:THR86 4.3 23.4 1.0 N A:GLY365 4.3 30.6 1.0 C A:THR85 4.4 23.3 1.0 C A:GLY53 4.5 24.0 1.0 CD1 A:TYR364 4.5 29.4 1.0 O A:PHE54 4.5 22.1 1.0 CA A:GLY53 4.6 24.6 1.0 CA A:THR85 4.7 22.7 1.0 CA A:TYR364 4.7 29.8 1.0 CA A:THR86 4.8 23.4 1.0 O A:THR85 4.8 23.8 1.0 OD1 A:ASP374 4.8 31.8 1.0 CD2 A:TYR364 4.9 29.8 1.0 N A:GLY53 5.0 25.7 1.0 CZ A:ARG117 5.0 31.6 1.0

Chlorine binding site 3 out of 3 in the The Crystal Structure of A Dihydroorotase From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of A Dihydroorotase From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl600 b:27.9 occ:1.00 O B:HOH551 2.9 31.2 1.0 OG1 B:THR125 3.1 20.3 1.0 N B:THR125 3.3 22.1 1.0 N B:ILE124 3.5 22.0 1.0 CA B:GLN128 3.7 26.3 1.0 CB B:ILE124 3.9 20.0 1.0 CA B:GLY153 3.9 38.4 1.0 CB B:THR125 4.0 22.0 1.0 O B:THR148 4.0 26.4 1.0 CA B:ILE124 4.0 21.2 1.0 CA B:THR125 4.1 21.9 1.0 CG B:GLN128 4.1 26.8 1.0 CB B:SER123 4.1 22.5 1.0 C B:ILE124 4.1 21.2 1.0 CB B:GLN128 4.1 26.7 1.0 O B:THR125 4.3 23.6 1.0 CG2 B:THR125 4.3 22.8 1.0 C B:GLN128 4.4 26.3 1.0 C B:SER123 4.5 22.7 1.0 OD1 B:ASP149 4.5 34.9 1.0 CA B:ASP149 4.5 31.9 1.0 O B:GLN128 4.6 26.4 1.0 C B:THR125 4.6 23.0 1.0 CA B:SER123 4.6 22.8 1.0 CG1 B:ILE124 4.7 20.5 1.0 N B:GLN128 4.7 25.9 1.0 N B:VAL154 4.7 37.4 1.0 C B:GLY153 4.8 38.0 1.0 C B:THR148 4.9 27.5 1.0 CD1 B:ILE124 4.9 16.1 1.0 OG B:SER123 5.0 24.4 1.0 CG2 B:ILE124 5.0 20.8 1.0 N B:GLY153 5.0 39.0 1.0 CG1 B:VAL154 5.0 37.1 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.