Chlorine in PDB 5clk: Crystal Structure of SZ348 in Complex with S,S-Cyclohexanediol

All present enzymatic activity of Crystal Structure of SZ348 in Complex with S,S-Cyclohexanediol:
3.3.2.8;

The structure of Crystal Structure of SZ348 in Complex with S,S-Cyclohexanediol, PDB code: 5clk was solved by L.Wu, Z.T.Sun, M.T.Reetz, J.H.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.35 / 2.70
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	104.943, 104.943, 73.896, 90.00, 90.00, 120.00
R / Rfree (%)	18.5 / 23.1

The structure of Crystal Structure of SZ348 in Complex with S,S-Cyclohexanediol also contains other interesting chemical elements:

Nickel	(Ni)	3 atoms
Potassium	(K)	4 atoms

The binding sites of Chlorine atom in the Crystal Structure of SZ348 in Complex with S,S-Cyclohexanediol (pdb code 5clk). 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 Crystal Structure of SZ348 in Complex with S,S-Cyclohexanediol, PDB code: 5clk:

Chlorine binding site 1 out of 1 in the Crystal Structure of SZ348 in Complex with S,S-Cyclohexanediol


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 SZ348 in Complex with S,S-Cyclohexanediol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl207 b:58.6 occ:1.00 O A:HOH328 2.6 37.1 1.0 O A:HOH333 2.7 31.7 1.0 O B:ARG9 4.0 39.0 1.0 O B:HOH328 4.2 35.2 1.0 OD1 A:ASP50 4.3 53.7 1.0 CA B:TRP10 4.4 32.7 1.0 CB A:MET52 4.4 33.7 1.0 O A:THR51 4.5 34.4 1.0 CE1 A:TYR62 4.5 33.3 1.0 O A:THR128 4.5 30.4 1.0 CD1 A:TYR62 4.5 32.0 1.0 CB B:TRP10 4.6 34.4 1.0 C B:ARG9 4.7 38.4 1.0 C A:THR51 4.9 35.3 1.0 N B:TRP10 4.9 35.6 1.0

L.Wu, Z.T.Sun, M.T.Reetz, J.H.Zhou. Crystal Structure of SZ348 in Complex with S,S-Cyclohexanediol To Be Published.