Chlorine in PDB 3dr8: Structure of Ynca, A Putative Acetyltransferase From Salmonella Typhimurium with Its Cofactor Acetyl-Coa

The structure of Structure of Ynca, A Putative Acetyltransferase From Salmonella Typhimurium with Its Cofactor Acetyl-Coa, PDB code: 3dr8 was solved by A.U.Singer, T.Skarina, O.Onopriyenko, A.M.Edwards, W.F.Anderson, A.Savchenko, 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)	47.35 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.254, 71.374, 74.005, 90.00, 90.00, 90.00
R / Rfree (%)	15.4 / 21.6

The binding sites of Chlorine atom in the Structure of Ynca, A Putative Acetyltransferase From Salmonella Typhimurium with Its Cofactor Acetyl-Coa (pdb code 3dr8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of Ynca, A Putative Acetyltransferase From Salmonella Typhimurium with Its Cofactor Acetyl-Coa, PDB code: 3dr8:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of Ynca, A Putative Acetyltransferase From Salmonella Typhimurium with Its Cofactor Acetyl-Coa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Ynca, A Putative Acetyltransferase From Salmonella Typhimurium with Its Cofactor Acetyl-Coa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1431 b:40.1 occ:1.00 CE1 A:HIS132 2.9 20.2 0.5 N A:VAL138 3.1 16.7 1.0 CG2 A:VAL138 3.7 15.9 1.0 CA A:THR137 3.7 18.3 1.0 CB A:VAL138 3.7 16.4 1.0 ND1 A:HIS132 3.8 19.9 0.5 CB A:THR137 3.9 17.8 1.0 NE2 A:HIS132 3.9 17.2 0.5 C A:THR137 3.9 17.3 1.0 CA A:VAL138 4.0 16.1 1.0 CG2 A:THR137 4.2 20.8 1.0 CD2 A:HIS132 4.4 19.4 0.5 O A:VAL138 4.6 14.7 1.0 O A:PHE136 4.8 16.9 1.0 CE A:MSE158 4.8 19.5 1.0 C A:VAL138 4.8 16.0 1.0 NE2 A:HIS132 4.9 17.1 0.5

Chlorine binding site 2 out of 4 in the Structure of Ynca, A Putative Acetyltransferase From Salmonella Typhimurium with Its Cofactor Acetyl-Coa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Ynca, A Putative Acetyltransferase From Salmonella Typhimurium with Its Cofactor Acetyl-Coa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1432 b:42.7 occ:1.00 O A:HOH1611 2.7 31.7 1.0 N A:GLU164 3.0 19.3 1.0 NE2 A:HIS165 3.6 28.8 1.0 CB A:ASP163 3.7 17.7 1.0 CD2 A:HIS165 3.7 26.8 1.0 CA A:ASP163 3.8 18.1 1.0 C A:ASP163 3.9 19.2 1.0 CA A:GLU164 3.9 20.3 1.0 CB A:GLU164 4.0 21.2 1.0 O A:HOH1624 4.2 39.5 1.0 C A:GLU164 4.2 19.9 1.0 OE1 A:GLU164 4.3 37.6 1.0 N A:HIS165 4.3 19.7 1.0 O A:HOH1486 4.4 31.6 1.0 CE1 A:HIS165 4.4 28.4 1.0 CG A:HIS165 4.6 23.8 1.0 O A:GLU164 4.9 19.3 1.0 CG A:ASP163 4.9 17.5 1.0 CG A:GLU164 4.9 26.7 1.0 CD A:GLU164 4.9 34.4 1.0 ND1 A:HIS165 5.0 26.4 1.0

Chlorine binding site 3 out of 4 in the Structure of Ynca, A Putative Acetyltransferase From Salmonella Typhimurium with Its Cofactor Acetyl-Coa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Ynca, A Putative Acetyltransferase From Salmonella Typhimurium with Its Cofactor Acetyl-Coa within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1429 b:44.2 occ:1.00 ND1 B:HIS24 3.3 14.3 1.0 O B:HOH1503 3.4 34.6 1.0 CA B:HIS24 4.0 14.2 1.0 O B:HIS24 4.2 16.0 1.0 CG B:HIS24 4.2 13.8 1.0 O B:LEU23 4.2 13.5 1.0 CB B:HIS24 4.3 14.1 1.0 CE1 B:HIS24 4.3 16.1 1.0 C B:HIS24 4.5 14.9 1.0 CE1 B:PHE149 4.8 20.9 1.0 CZ B:PHE149 5.0 20.0 1.0

Chlorine binding site 4 out of 4 in the Structure of Ynca, A Putative Acetyltransferase From Salmonella Typhimurium with Its Cofactor Acetyl-Coa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Ynca, A Putative Acetyltransferase From Salmonella Typhimurium with Its Cofactor Acetyl-Coa within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1430 b:50.3 occ:1.00 NE2 B:HIS24 3.0 15.0 1.0 CE1 B:HIS24 3.9 16.1 1.0 CD2 B:HIS24 4.0 13.6 1.0 CD1 B:LEU23 4.5 11.5 1.0

A.U.Singer, T.Skarina, O.Onopriyenko, A.M.Edwards, W.F.Anderson, A.Savchenko. Structure of Ynca, A Putative Acetyltransferase From Salmonella Typhimurium with Its Cofactor Acetyl-Coa To Be Published.