Chlorine in PDB 1pg4: Acetyl Coa Synthetase, Salmonella Enterica

All present enzymatic activity of Acetyl Coa Synthetase, Salmonella Enterica:
6.2.1.1;

The structure of Acetyl Coa Synthetase, Salmonella Enterica, PDB code: 1pg4 was solved by A.M.Gulick, V.J.Starai, A.R.Horswill, K.M.Homick, J.C.Escalante-Semerena, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.80 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	59.994, 143.016, 71.731, 90.00, 91.32, 90.00
R / Rfree (%)	18.4 / 21.1

The structure of Acetyl Coa Synthetase, Salmonella Enterica also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Acetyl Coa Synthetase, Salmonella Enterica (pdb code 1pg4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Acetyl Coa Synthetase, Salmonella Enterica, PDB code: 1pg4:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Acetyl Coa Synthetase, Salmonella Enterica


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Acetyl Coa Synthetase, Salmonella Enterica within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl902 b:20.6 occ:1.00 O A:HOH2155 3.1 34.6 1.0 N A:ARG238 3.2 20.4 1.0 N A:LYS221 3.2 14.4 1.0 CB A:ARG238 3.5 26.0 1.0 O A:HOH2046 3.7 38.1 1.0 N A:TRP237 3.7 17.9 1.0 CB A:TRP237 3.8 17.2 1.0 O A:HOH2151 3.8 43.8 1.0 CB A:LYS221 3.8 17.4 1.0 O A:VAL219 3.9 14.9 1.0 CA A:ARG238 3.9 22.2 1.0 CA A:LEU220 4.0 14.4 1.0 C A:LEU220 4.1 15.2 1.0 CA A:TRP237 4.1 18.8 1.0 CD1 A:LEU220 4.1 17.0 1.0 C A:TRP237 4.1 20.1 1.0 CE3 A:TRP236 4.1 18.6 1.0 CA A:LYS221 4.1 15.6 1.0 CB A:TRP236 4.4 18.4 1.0 C A:TRP236 4.4 19.6 1.0 CA A:TRP236 4.7 18.2 1.0 CG A:TRP237 4.7 17.0 1.0 C A:VAL219 4.8 15.8 1.0 CD2 A:TRP236 4.8 19.0 1.0 CG A:ARG238 4.8 31.2 1.0 CG A:LEU220 4.9 13.9 1.0 CD1 A:TRP237 4.9 18.2 1.0 N A:LEU220 4.9 15.1 1.0 CB A:LEU220 4.9 15.1 1.0 O A:LYS221 4.9 16.8 1.0 CZ3 A:TRP236 4.9 18.9 1.0 CG A:TRP236 5.0 19.8 1.0 C A:LYS221 5.0 15.8 1.0

Chlorine binding site 2 out of 2 in the Acetyl Coa Synthetase, Salmonella Enterica


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Acetyl Coa Synthetase, Salmonella Enterica within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl901 b:20.0 occ:1.00 N B:ARG238 3.2 19.5 1.0 N B:LYS221 3.2 15.6 1.0 O B:HOH2176 3.3 34.0 1.0 CB B:ARG238 3.5 25.4 1.0 O B:HOH2087 3.6 36.3 1.0 N B:TRP237 3.8 16.8 1.0 O B:VAL219 3.8 15.3 1.0 CB B:LYS221 3.8 19.1 1.0 CB B:TRP237 3.8 18.4 1.0 CA B:ARG238 4.0 23.1 1.0 CA B:LEU220 4.0 14.5 1.0 CE3 B:TRP236 4.0 17.6 1.0 C B:LEU220 4.1 16.4 1.0 CA B:LYS221 4.1 17.3 1.0 CA B:TRP237 4.1 17.2 1.0 CD1 B:LEU220 4.1 17.2 1.0 C B:TRP237 4.2 19.0 1.0 CB B:TRP236 4.4 19.1 1.0 C B:TRP236 4.4 17.4 1.0 CA B:TRP236 4.7 17.2 1.0 C B:VAL219 4.7 14.3 1.0 CD2 B:TRP236 4.7 18.3 1.0 CG B:TRP237 4.7 18.3 1.0 CZ3 B:TRP236 4.8 19.4 1.0 CG B:ARG238 4.8 31.2 1.0 CD1 B:TRP237 4.9 18.8 1.0 N B:LEU220 4.9 14.3 1.0 O B:LYS221 4.9 15.8 1.0 CG B:TRP236 4.9 18.9 1.0 C B:LYS221 5.0 15.8 1.0 CG B:LEU220 5.0 16.5 1.0 CB B:LEU220 5.0 15.4 1.0

A.M.Gulick, V.J.Starai, A.R.Horswill, K.M.Homick, J.C.Escalante-Semerena. The 1.75 A Crystal Structure of Acetyl-Coa Synthetase Bound to Adenosine-5'-Propylphosphate and Coenzyme A Biochemistry V. 42 2866 2003.
ISSN: ISSN 0006-2960
PubMed: 12627952
DOI: 10.1021/BI0271603