Chlorine in PDB 5f6q: Crystal Structure of Metallothiol Transferase From Bacillus Anthracis Str. Ames

The structure of Crystal Structure of Metallothiol Transferase From Bacillus Anthracis Str. Ames, PDB code: 5f6q was solved by N.Maltseva, Y.Kim, J.Osipiuk, 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)	27.39 / 1.52
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	84.873, 84.793, 109.571, 90.00, 90.00, 90.00
R / Rfree (%)	14.5 / 16.9

The structure of Crystal Structure of Metallothiol Transferase From Bacillus Anthracis Str. Ames also contains other interesting chemical elements:

Potassium	(K)	1 atom
Zinc	(Zn)	3 atoms

The binding sites of Chlorine atom in the Crystal Structure of Metallothiol Transferase From Bacillus Anthracis Str. Ames (pdb code 5f6q). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Metallothiol Transferase From Bacillus Anthracis Str. Ames, PDB code: 5f6q:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Metallothiol Transferase From Bacillus Anthracis Str. Ames


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 Metallothiol Transferase From Bacillus Anthracis Str. Ames within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:32.8 occ:1.00 ZN A:ZN204 2.3 25.6 1.0 OE2 B:GLU81 3.3 28.0 1.0 NE2 A:HIS134 3.5 24.3 1.0 CD2 A:HIS134 3.5 23.1 1.0 O A:HOH365 3.5 33.5 1.0 CD1 B:ILE84 3.8 26.4 1.0 CE B:LYS80 4.3 42.1 1.0 NZ B:LYS80 4.4 49.0 1.0 CD B:GLU81 4.5 29.1 1.0 CD B:LYS80 4.5 37.5 1.0 CB A:LYS133 4.6 25.1 1.0 CE1 A:HIS134 4.7 23.7 1.0 CG A:HIS134 4.8 23.4 1.0 CG B:LYS80 4.9 29.5 1.0 OE1 B:GLU81 4.9 30.6 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Metallothiol Transferase From Bacillus Anthracis Str. Ames


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 Metallothiol Transferase From Bacillus Anthracis Str. Ames within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl205 b:51.4 occ:1.00 N B:LEU121 2.9 24.1 1.0 CA B:THR120 3.4 25.1 1.0 CB B:THR120 3.6 27.9 1.0 OE1 B:GLN122 3.6 30.1 0.6 C B:THR120 3.7 24.9 1.0 CB B:LEU121 3.7 26.0 1.0 CA B:LEU121 3.9 23.9 1.0 CG2 B:THR120 4.2 29.2 1.0 CD B:GLN122 4.7 34.8 0.6 N B:THR120 4.7 25.1 1.0 O B:GLY119 4.8 25.8 1.0 OG1 B:THR120 4.8 30.4 1.0 N B:GLN122 4.8 26.6 0.6 N B:GLN122 4.9 26.2 0.4 O B:THR120 4.9 23.7 1.0 C B:LEU121 5.0 25.5 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Metallothiol Transferase From Bacillus Anthracis Str. Ames


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Metallothiol Transferase From Bacillus Anthracis Str. Ames within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl206 b:41.7 occ:1.00 N B:ILE5 3.1 22.5 1.0 CA B:GLY4 3.7 25.2 1.0 CG1 B:ILE5 3.7 27.8 1.0 C B:GLY4 3.9 22.3 1.0 CB B:ILE5 3.9 24.2 1.0 CA B:ILE5 4.1 21.8 1.0 CD1 B:ILE5 4.1 30.0 1.0 O B:HOH349 5.0 34.1 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Metallothiol Transferase From Bacillus Anthracis Str. Ames


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Metallothiol Transferase From Bacillus Anthracis Str. Ames within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl207 b:53.6 occ:1.00 N B:GLU53 3.0 27.9 1.0 NZ B:LYS36 3.3 53.0 1.0 CB B:GLU53 3.5 32.5 1.0 CG B:GLU53 3.5 37.2 1.0 CA B:GLU52 3.8 21.7 1.0 C B:GLU52 3.8 22.1 1.0 O B:HOH386 3.9 41.0 1.0 CA B:GLU53 3.9 30.0 1.0 O B:VAL51 4.0 23.9 1.0 CD B:GLU53 4.1 45.1 0.7 CG1 B:VAL51 4.2 23.9 1.0 CE B:LYS36 4.3 51.7 1.0 C B:VAL51 4.3 21.4 1.0 N B:GLU52 4.3 20.5 1.0 OE1 B:GLU53 4.4 44.3 0.8 OE2 B:GLU53 4.7 50.0 0.9 N B:ASP54 5.0 31.3 0.5 N B:ASP54 5.0 30.0 0.6 C B:GLU53 5.0 32.7 1.0 CB B:GLU52 5.0 22.3 1.0

N.Maltseva, Y.Kim, J.Osipiuk, W.F.Anderson, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). Crystal Structure of Metallothiol Transferase From Bacillus Anthracis Str. Ames To Be Published.