Chlorine in PDB 3goa: Crystal Structure of the Salmonella Typhimurium Fada 3-Ketoacyl-Coa Thiolase

All present enzymatic activity of Crystal Structure of the Salmonella Typhimurium Fada 3-Ketoacyl-Coa Thiolase:
2.3.1.16;

The structure of Crystal Structure of the Salmonella Typhimurium Fada 3-Ketoacyl-Coa Thiolase, PDB code: 3goa was solved by S.M.Anderson, T.Skarina, O.Onopriyenko, Z.Wawrzak, L.Papazisi, A.Savchenko, W.F.Anderson, Center For Structural Genomics Ofinfectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	73.000, 64.500, 74.400, 90.00, 104.50, 90.00
R / Rfree (%)	14.2 / 19.2

The structure of Crystal Structure of the Salmonella Typhimurium Fada 3-Ketoacyl-Coa Thiolase also contains other interesting chemical elements:

Calcium	(Ca)	2 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of the Salmonella Typhimurium Fada 3-Ketoacyl-Coa Thiolase (pdb code 3goa). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Salmonella Typhimurium Fada 3-Ketoacyl-Coa Thiolase, PDB code: 3goa:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Salmonella Typhimurium Fada 3-Ketoacyl-Coa Thiolase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Salmonella Typhimurium Fada 3-Ketoacyl-Coa Thiolase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl388 b:35.9 occ:1.00 O A:ALA9 2.6 11.7 1.0 O A:THR187 2.8 16.9 1.0 NH1 A:ARG264 3.0 14.8 1.0 NH2 A:ARG264 3.2 17.3 1.0 OD1 A:ASN358 3.4 17.3 1.0 ND2 A:ASN358 3.5 9.0 1.0 C A:THR187 3.5 15.2 1.0 CZ A:ARG264 3.5 13.6 1.0 CA A:GLU188 3.6 13.2 1.0 CG2 A:THR187 3.6 23.2 1.0 NH2 A:ARG41 3.7 15.9 1.0 C A:ALA9 3.8 12.4 1.0 CG A:ASN358 3.9 14.3 1.0 N A:GLU188 3.9 14.1 1.0 OD1 A:ASP8 4.0 14.8 1.0 CB A:GLU188 4.1 10.9 1.0 CG2 A:ILE10 4.2 11.5 1.0 O A:HOH888 4.3 36.9 1.0 CB A:THR187 4.5 16.5 1.0 N A:ALA9 4.5 12.1 1.0 CA A:THR187 4.6 14.6 1.0 O A:HOH571 4.7 32.2 1.0 CA A:ALA9 4.7 9.5 1.0 CA A:ILE10 4.7 8.8 1.0 N A:ILE10 4.7 12.9 1.0 C A:GLU188 4.7 9.8 1.0 CZ A:ARG41 4.8 19.0 1.0 NE A:ARG264 4.9 12.6 1.0 O A:GLU188 4.9 11.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Salmonella Typhimurium Fada 3-Ketoacyl-Coa Thiolase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Salmonella Typhimurium Fada 3-Ketoacyl-Coa Thiolase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl389 b:24.3 occ:1.00 O A:HOH934 3.0 33.0 1.0 NE A:ARG266 3.2 26.0 1.0 N A:VAL387 3.4 24.6 1.0 CG2 A:VAL387 3.4 29.7 1.0 NH2 A:ARG266 3.4 28.9 1.0 CA A:ALA265 3.7 10.3 1.0 C A:ALA265 3.7 12.6 1.0 O A:GLU385 3.7 15.2 1.0 CZ A:ARG266 3.8 28.4 1.0 CA A:ARG386 3.8 18.9 1.0 N A:ALA265 3.9 12.2 1.0 N A:ARG266 4.0 12.7 1.0 C A:ARG386 4.1 19.7 1.0 O A:ALA265 4.1 13.8 1.0 CB A:PRO263 4.1 17.9 1.0 CB A:VAL387 4.2 31.4 1.0 O A:PRO263 4.3 14.0 1.0 C A:ARG264 4.3 12.5 1.0 CG A:ARG266 4.3 14.5 1.0 CD A:ARG266 4.3 24.6 1.0 CA A:VAL387 4.3 31.3 1.0 CG1 A:VAL387 4.4 34.6 1.0 CB A:ARG266 4.4 13.7 1.0 C A:PRO263 4.5 15.0 1.0 O A:ARG264 4.5 14.9 1.0 C A:GLU385 4.5 13.0 1.0 N A:ARG386 4.7 12.2 1.0 O A:HOH479 4.8 33.9 1.0 CA A:ARG266 4.8 13.7 1.0 OXT A:VAL387 4.8 34.8 1.0 N A:ARG264 4.8 11.6 1.0 CB A:ARG386 4.8 17.3 1.0 CA A:PRO263 5.0 15.0 1.0

S.M.Anderson, T.Skarina, O.Onopriyenko, Z.Wawrzak, L.Papazisi, A.Savchenko, W.F.Anderson, Center For Structural Genomics Ofinfectious Diseases (Csgid). N/A N/A.