Chlorine in PDB 3g0s: Dihydrodipicolinate Synthase From Salmonella Typhimurium LT2

All present enzymatic activity of Dihydrodipicolinate Synthase From Salmonella Typhimurium LT2:
4.2.1.52;

The structure of Dihydrodipicolinate Synthase From Salmonella Typhimurium LT2, PDB code: 3g0s was solved by J.Osipiuk, N.Maltseva, J.Stam, 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)	32.40 / 1.85
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	149.817, 56.273, 85.801, 90.00, 120.36, 90.00
R / Rfree (%)	15.5 / 19

The structure of Dihydrodipicolinate Synthase From Salmonella Typhimurium LT2 also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Dihydrodipicolinate Synthase From Salmonella Typhimurium LT2 (pdb code 3g0s). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Dihydrodipicolinate Synthase From Salmonella Typhimurium LT2, PDB code: 3g0s:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Dihydrodipicolinate Synthase From Salmonella Typhimurium LT2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Dihydrodipicolinate Synthase From Salmonella Typhimurium LT2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:22.8 occ:1.00 O A:HOH461 2.9 26.7 1.0 OG A:SER137 3.0 15.4 1.0 N A:SER137 3.2 12.9 1.0 CD A:PRO136 3.4 15.2 1.0 CB A:SER137 3.5 14.6 1.0 N A:PRO136 3.5 14.3 1.0 C A:VAL135 3.7 14.1 1.0 O A:ALA163 3.8 17.7 1.0 CA A:VAL135 3.8 13.5 1.0 CA A:THR164 3.8 15.6 1.0 CG2 A:VAL135 3.9 12.9 1.0 CG A:PRO136 3.9 14.4 1.0 CA A:SER137 3.9 13.8 1.0 C A:ALA163 4.1 16.7 1.0 N A:THR164 4.2 16.6 1.0 C A:PRO136 4.2 12.8 1.0 CA A:PRO136 4.3 13.8 1.0 CG2 A:THR164 4.3 14.9 1.0 O A:VAL135 4.3 13.6 1.0 CB A:VAL135 4.4 13.5 1.0 CB A:PRO136 4.5 14.5 1.0 CB A:THR164 4.5 15.4 1.0 C A:THR164 4.7 16.3 1.0 O A:THR164 4.8 14.4 1.0 CB A:ALA163 4.8 14.3 1.0 O A:HOH539 4.8 44.0 1.0 O A:HOH499 5.0 45.6 1.0 N A:VAL135 5.0 14.2 1.0

Chlorine binding site 2 out of 4 in the Dihydrodipicolinate Synthase From Salmonella Typhimurium LT2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Dihydrodipicolinate Synthase From Salmonella Typhimurium LT2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:25.7 occ:1.00 NZ A:LYS161 3.1 16.8 1.0 O A:HOH378 3.1 14.9 1.0 O A:HOH412 3.2 16.9 1.0 CD2 A:LEU101 3.2 18.0 1.0 CG1 A:VAL40 3.8 12.8 1.0 N A:THR44 3.8 15.9 1.0 CG2 A:ILE203 3.9 11.3 1.0 CA A:GLY43 3.9 16.1 1.0 CB A:ALA8 4.0 12.0 1.0 CE A:LYS161 4.2 14.2 1.0 C A:GLY43 4.4 16.2 1.0 O A:HOH605 4.4 36.0 1.0 CB A:VAL40 4.5 13.7 1.0 OG1 A:THR44 4.5 20.9 1.0 CB A:THR44 4.5 16.5 1.0 CE2 A:TYR133 4.5 19.8 1.0 CD A:LYS161 4.5 12.9 1.0 CA A:ALA8 4.6 13.8 1.0 OH A:TYR133 4.6 25.0 1.0 CA A:THR44 4.7 16.0 1.0 CZ A:TYR133 4.8 18.2 1.0 CG A:LEU101 4.8 12.4 1.0 N A:THR45 4.8 14.6 1.0 CG2 A:VAL40 4.8 10.9 1.0

Chlorine binding site 3 out of 4 in the Dihydrodipicolinate Synthase From Salmonella Typhimurium LT2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Dihydrodipicolinate Synthase From Salmonella Typhimurium LT2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:21.9 occ:1.00 OG B:SER137 3.0 15.7 1.0 O B:HOH444 3.1 26.4 1.0 N B:SER137 3.2 14.0 1.0 O B:HOH607 3.3 43.5 1.0 CB B:SER137 3.4 15.2 1.0 N B:PRO136 3.4 13.5 1.0 CD B:PRO136 3.5 14.5 1.0 C B:VAL135 3.7 12.9 1.0 O B:ALA163 3.7 18.9 1.0 CA B:VAL135 3.8 12.6 1.0 CG2 B:VAL135 3.8 13.2 1.0 CA B:THR164 3.9 16.9 1.0 CA B:SER137 3.9 14.2 1.0 CG B:PRO136 4.0 13.7 1.0 C B:ALA163 4.1 17.3 1.0 C B:PRO136 4.2 13.1 1.0 O B:HOH442 4.2 52.6 1.0 N B:THR164 4.3 16.7 1.0 CA B:PRO136 4.3 13.1 1.0 CG2 B:THR164 4.3 16.9 1.0 O B:VAL135 4.3 12.7 1.0 CB B:VAL135 4.4 12.1 1.0 CB B:PRO136 4.5 13.7 1.0 CB B:THR164 4.6 16.6 1.0 C B:THR164 4.7 17.6 1.0 O B:THR164 4.8 18.4 1.0 CB B:ALA163 4.8 16.5 1.0 N B:VAL135 4.9 13.0 1.0 O B:HOH445 5.0 43.9 1.0

Chlorine binding site 4 out of 4 in the Dihydrodipicolinate Synthase From Salmonella Typhimurium LT2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Dihydrodipicolinate Synthase From Salmonella Typhimurium LT2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl406 b:27.1 occ:1.00 NZ B:LYS161 3.0 18.3 1.0 O B:HOH388 3.1 16.0 1.0 O B:HOH429 3.2 20.0 1.0 CD2 B:LEU101 3.4 21.3 1.0 CG1 B:VAL40 3.7 11.3 1.0 CG2 B:ILE203 3.8 13.9 1.0 CB B:ALA8 3.9 13.2 1.0 N B:THR44 4.0 14.8 1.0 CA B:GLY43 4.1 14.5 1.0 CE B:LYS161 4.3 13.5 1.0 CB B:VAL40 4.4 12.1 1.0 O B:HOH588 4.5 36.4 1.0 CA B:ALA8 4.5 12.3 1.0 C B:GLY43 4.5 14.4 1.0 CE2 B:TYR133 4.5 20.2 1.0 OG1 B:THR44 4.6 21.3 1.0 CD B:LYS161 4.6 12.6 1.0 CB B:THR44 4.7 16.5 1.0 OH B:TYR133 4.7 23.5 1.0 CG2 B:VAL40 4.8 9.3 1.0 N B:THR45 4.9 13.7 1.0 CZ B:TYR133 4.9 19.0 1.0 CG B:LEU101 4.9 14.8 1.0 CA B:THR44 4.9 15.2 1.0

J.Osipiuk, N.Maltseva, J.Stam, W.F.Anderson, A.Joachimiak. X-Ray Crystal Structure of Dihydrodipicolinate Synthase From Salmonella Typhimurium LT2. To Be Published.