Chlorine in PDB 4e4r: Eutd Phosphotransacetylase From Staphylococcus Aureus

All present enzymatic activity of Eutd Phosphotransacetylase From Staphylococcus Aureus:
2.3.1.8;

The structure of Eutd Phosphotransacetylase From Staphylococcus Aureus, PDB code: 4e4r was solved by J.Osipiuk, M.Zhou, S.Peterson, W.F.Anderson, A.Joachimiak, Center Forstructural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.50 / 1.44
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	54.595, 54.595, 202.895, 90.00, 90.00, 90.00
R / Rfree (%)	12.8 / 18

The binding sites of Chlorine atom in the Eutd Phosphotransacetylase From Staphylococcus Aureus (pdb code 4e4r). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Eutd Phosphotransacetylase From Staphylococcus Aureus, PDB code: 4e4r:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Eutd Phosphotransacetylase 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 Eutd Phosphotransacetylase From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl507 b:42.2 occ:0.80 O A:HOH907 2.9 46.0 1.0 N A:ILE237 3.0 18.6 1.0 O A:ILE237 3.3 20.2 1.0 CA A:ILE236 3.6 19.4 1.0 C A:ILE236 3.8 17.5 1.0 CA A:ILE237 4.0 17.3 1.0 CG A:GLN225 4.0 22.3 1.0 O A:ALA235 4.0 24.4 1.0 C A:ILE237 4.1 17.8 1.0 CG2 A:ILE236 4.2 26.0 1.0 CD A:LYS260 4.2 36.8 1.0 CB A:ILE237 4.3 18.7 1.0 CB A:ILE236 4.4 22.6 1.0 NE2 A:GLN225 4.5 22.6 1.0 N A:ILE236 4.6 18.6 1.0 CE A:LYS260 4.6 45.5 1.0 CD A:GLN225 4.7 25.8 1.0 C A:ALA235 4.7 22.4 1.0 CB A:GLN225 4.8 23.1 1.0 CG1 A:ILE237 4.8 18.1 1.0 CG1 A:ILE236 5.0 24.4 1.0 CA A:GLN225 5.0 22.4 1.0

Chlorine binding site 2 out of 3 in the Eutd Phosphotransacetylase 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 Eutd Phosphotransacetylase From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl508 b:20.3 occ:0.70 O A:SER202 2.9 14.8 1.0 N A:PHE243 3.0 14.0 1.0 CA A:GLN242 3.2 14.2 1.0 CB A:GLN242 3.3 15.1 1.0 C A:GLN242 3.6 14.2 1.0 CG A:GLN242 3.6 16.7 1.0 C A:SER202 4.0 13.5 1.0 CA A:PHE243 4.1 14.9 1.0 CB A:PHE243 4.2 16.4 1.0 CA A:PHE203 4.4 15.4 1.0 N A:GLN242 4.6 14.0 1.0 N A:PHE203 4.6 14.0 1.0 CD A:GLN242 4.7 17.0 1.0 NE2 A:GLN242 4.7 20.0 1.0 O A:PHE241 4.8 15.4 1.0 O A:GLN242 4.9 16.5 1.0

Chlorine binding site 3 out of 3 in the Eutd Phosphotransacetylase 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 Eutd Phosphotransacetylase From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl509 b:24.6 occ:0.75 O A:HOH715 2.9 37.2 1.0 O A:HOH682 3.0 21.7 1.0 N A:SER307 3.1 19.8 1.0 O A:HOH734 3.2 30.6 1.0 CB A:CYS310 3.6 20.4 1.0 CB A:SER307 3.7 24.4 1.0 CA A:LEU306 3.9 17.1 1.0 CD2 A:LEU306 3.9 17.5 1.0 CB A:ASP314 3.9 16.9 1.0 C A:LEU306 4.0 18.6 1.0 CA A:SER307 4.0 20.5 1.0 OD2 A:ASP314 4.0 22.3 1.0 CG A:ASP314 4.2 21.3 1.0 CB A:LEU306 4.2 18.0 1.0 O A:HOH627 4.3 17.9 1.0 CA A:CYS310 4.3 20.3 1.0 O A:HOH609 4.5 24.0 1.0 O A:HOH840 4.6 47.5 1.0 O A:SER307 4.6 21.5 1.0 CG A:LEU306 4.7 17.5 1.0 C A:SER307 4.8 21.8 1.0 O A:HOH654 4.8 21.8 1.0 OD1 A:ASP314 5.0 22.6 1.0 N A:CYS310 5.0 21.5 1.0 O A:ASP305 5.0 17.7 1.0 OG A:SER307 5.0 31.4 1.0

J.Osipiuk, M.Zhou, S.Peterson, W.F.Anderson, A.Joachimiak. Eutd Phosphotransacetylase From Staphylococcus Aureus. To Be Published.