Chlorine in PDB 3i3o: 2.06 Angstrom Resolution Crystal Structure of A Short Chain Dehydrogenase From Bacillus Anthracis Str. 'Ames Ancestor' in Complex with Nad-Acetone

The structure of 2.06 Angstrom Resolution Crystal Structure of A Short Chain Dehydrogenase From Bacillus Anthracis Str. 'Ames Ancestor' in Complex with Nad-Acetone, PDB code: 3i3o was solved by A.S.Halavaty, G.Minasov, T.Skarina, O.Onopriyenko, S.Peterson, 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)	29.95 / 2.06
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	131.757, 168.156, 107.194, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 20.5

The structure of 2.06 Angstrom Resolution Crystal Structure of A Short Chain Dehydrogenase From Bacillus Anthracis Str. 'Ames Ancestor' in Complex with Nad-Acetone also contains other interesting chemical elements:

Magnesium	(Mg)	7 atoms
Arsenic	(As)	9 atoms

The binding sites of Chlorine atom in the 2.06 Angstrom Resolution Crystal Structure of A Short Chain Dehydrogenase From Bacillus Anthracis Str. 'Ames Ancestor' in Complex with Nad-Acetone (pdb code 3i3o). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the 2.06 Angstrom Resolution Crystal Structure of A Short Chain Dehydrogenase From Bacillus Anthracis Str. 'Ames Ancestor' in Complex with Nad-Acetone, PDB code: 3i3o:

Chlorine binding site 1 out of 1 in the 2.06 Angstrom Resolution Crystal Structure of A Short Chain Dehydrogenase From Bacillus Anthracis Str. 'Ames Ancestor' in Complex with Nad-Acetone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 2.06 Angstrom Resolution Crystal Structure of A Short Chain Dehydrogenase From Bacillus Anthracis Str. 'Ames Ancestor' in Complex with Nad-Acetone within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl308 b:51.6 occ:1.00 NE D:ARG217 3.0 9.8 1.0 NH2 D:ARG217 3.1 12.0 1.0 O D:HOH446 3.4 19.2 1.0 CZ D:ARG217 3.5 11.7 1.0 CA D:SER268 3.9 19.9 1.0 CD D:ARG217 4.1 13.1 1.0 O D:GLY172 4.1 15.1 1.0 CG2 D:VAL174 4.2 13.7 1.0 CA D:SER271 4.3 13.1 1.0 O D:SER267 4.3 18.6 1.0 CB D:SER268 4.4 20.4 1.0 N D:SER268 4.4 19.1 1.0 O D:HOH486 4.4 16.2 1.0 CB D:SER271 4.5 13.5 1.0 C D:SER267 4.6 19.1 1.0 O D:HOH542 4.7 38.0 1.0 N D:SER271 4.7 14.1 1.0 C D:GLY172 4.8 15.5 1.0 NH1 D:ARG217 4.8 9.9 1.0 CA D:GLY172 4.8 16.1 1.0 CG D:ARG217 4.9 13.5 1.0 O D:HOH444 4.9 18.6 1.0 C D:SER268 5.0 19.4 1.0

A.S.Halavaty, G.Minasov, T.Skarina, O.Onopriyenko, S.Peterson, A.Savchenko, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 2.06 Angstrom Resolution Crystal Structure of A Short Chain Dehydrogenase From Bacillus Anthracis Str. 'Ames Ancestor' in Complex with Nad-Acetone To Be Published.