Cadmium in PDB 4qgl: Acireductone Dioxygenase From Bacillus Anthracis with Three Cadmium Ions

All present enzymatic activity of Acireductone Dioxygenase From Bacillus Anthracis with Three Cadmium Ions:
1.13.11.53; 1.13.11.54;

The structure of Acireductone Dioxygenase From Bacillus Anthracis with Three Cadmium Ions, PDB code: 4qgl was solved by A.M.Milaczewska, M.Chruszcz, K.A.Majorek, P.J.Porebski, T.Borowski, W.Minor, 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)	19.85 / 2.61
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	106.761, 57.690, 33.980, 90.00, 98.15, 90.00
R / Rfree (%)	17.6 / 22.6

The binding sites of Cadmium atom in the Acireductone Dioxygenase From Bacillus Anthracis with Three Cadmium Ions (pdb code 4qgl). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 3 binding sites of Cadmium where determined in the Acireductone Dioxygenase From Bacillus Anthracis with Three Cadmium Ions, PDB code: 4qgl:
Jump to Cadmium binding site number: 1; 2; 3;

Cadmium binding site 1 out of 3 in the Acireductone Dioxygenase From Bacillus Anthracis with Three Cadmium Ions


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Acireductone Dioxygenase From Bacillus Anthracis with Three Cadmium Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd201 b:19.2 occ:0.75 OE1 A:GLU105 2.3 31.4 1.0 NE2 A:HIS101 2.3 28.1 1.0 O A:HOH301 2.4 7.6 1.0 NE2 A:HIS99 2.4 25.3 1.0 NE2 A:HIS144 2.6 20.9 1.0 CD A:GLU105 3.1 29.8 1.0 CE1 A:HIS101 3.2 28.7 1.0 CD2 A:HIS99 3.2 25.8 1.0 CD2 A:HIS101 3.3 28.3 1.0 CE1 A:HIS99 3.3 25.1 1.0 OE2 A:GLU105 3.5 30.5 1.0 CD2 A:HIS144 3.5 20.5 1.0 CE1 A:HIS144 3.5 21.2 1.0 CD A:CD203 3.8 37.2 0.4 ND1 A:HIS101 4.3 29.3 1.0 CG A:GLU105 4.4 29.1 1.0 CG A:HIS99 4.4 25.9 1.0 ND1 A:HIS99 4.4 25.6 1.0 CG A:HIS101 4.4 29.0 1.0 CD1 A:PHE95 4.6 36.1 1.0 ND1 A:HIS144 4.6 21.1 1.0 CG A:HIS144 4.6 20.7 1.0 CB A:GLU105 4.8 28.6 1.0 CE1 A:PHE116 4.9 19.7 1.0

Cadmium binding site 2 out of 3 in the Acireductone Dioxygenase From Bacillus Anthracis with Three Cadmium Ions


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Acireductone Dioxygenase From Bacillus Anthracis with Three Cadmium Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd202 b:33.7 occ:1.00 O A:GLY-3 2.1 29.6 1.0 OE2 A:GLU131 2.3 21.9 1.0 OE1 A:GLU131 2.4 21.6 1.0 NE2 A:HIS113 2.7 21.5 1.0 CD A:GLU131 2.7 21.6 1.0 N A:GLY-3 2.9 29.3 1.0 C A:GLY-3 3.1 30.3 1.0 CD2 A:HIS113 3.4 21.0 1.0 CA A:GLY-3 3.4 30.1 1.0 CE1 A:HIS113 3.7 21.6 1.0 CG A:GLU131 4.2 21.3 1.0 N A:ALA-2 4.3 30.8 1.0 CG A:HIS113 4.7 20.8 1.0 O A:ALA-1 4.8 30.5 1.0 ND1 A:HIS113 4.8 21.2 1.0 CB A:GLU131 4.9 21.0 1.0 CA A:ALA-2 5.0 31.2 1.0 N A:ALA-1 5.0 30.8 1.0

Cadmium binding site 3 out of 3 in the Acireductone Dioxygenase From Bacillus Anthracis with Three Cadmium Ions


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of Acireductone Dioxygenase From Bacillus Anthracis with Three Cadmium Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd203 b:37.2 occ:0.40 OE2 A:GLU105 2.3 30.5 1.0 O A:HOH301 2.7 7.6 1.0 CD A:GLU105 3.3 29.8 1.0 NH2 A:ARG107 3.7 22.4 1.0 CD A:CD201 3.8 19.2 0.8 OE1 A:GLU105 3.9 31.4 1.0 CZ A:PHE116 4.2 19.6 1.0 CZ A:ARG107 4.3 22.1 1.0 NE A:ARG107 4.3 21.8 1.0 CE1 A:PHE116 4.4 19.7 1.0 CG A:PHE95 4.4 34.7 1.0 CG A:GLU105 4.4 29.1 1.0 CD1 A:PHE95 4.5 36.1 1.0 CB A:PHE95 4.6 32.8 1.0 CB A:PHE146 4.7 19.9 1.0 CD2 A:PHE95 4.9 36.0 1.0 CG A:PHE146 4.9 19.7 1.0

A.M.Milaczewska, M.Chruszcz, K.A.Majorek, P.J.Porebski, T.Borowski, W.Minor. Acireductone Dioxygenase From Bacillus Anthracis with Three Cadmium Ions To Be Published.