Potassium 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
Chlorine	(Cl)	1 atom

The binding sites of Potassium 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 Potassium atom.
In total 4 binding sites of Potassium where determined in the Crystal Structure of SZ348 in Complex with S,S-Cyclohexanediol, PDB code: 5clk:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in the Crystal Structure of SZ348 in Complex with S,S-Cyclohexanediol


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K 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:K205 b:48.0 occ:1.00 O A:ALA19 2.7 49.5 1.0 O A:ILE88 2.9 42.0 1.0 OD1 B:ASN92 3.1 49.7 1.0 O A:ALA16 3.1 56.1 1.0 O A:ALA17 3.2 48.0 1.0 CG2 A:ILE88 3.5 41.0 1.0 OG B:SER91 3.5 47.8 1.0 C A:ALA17 3.7 48.8 1.0 OE1 A:GLU25 3.8 45.4 1.0 C A:ILE88 3.8 39.2 1.0 CG B:ASN92 3.9 47.5 1.0 C A:ALA19 3.9 52.1 1.0 N A:ALA19 4.0 52.3 1.0 CA A:ALA17 4.0 58.7 1.0 C A:ALA16 4.2 61.5 1.0 ND2 B:ASN92 4.2 50.5 1.0 CA A:ALA19 4.5 50.7 1.0 N A:ALA17 4.6 65.4 1.0 N A:GLY18 4.6 47.6 1.0 CA A:ILE88 4.6 39.0 1.0 CB A:ILE88 4.6 39.1 1.0 CD A:GLU25 4.6 44.9 1.0 N A:ILE88 4.6 42.2 1.0 CB A:SER21 4.6 49.5 1.0 N A:GLY89 4.7 39.0 1.0 CB B:SER91 4.7 44.9 1.0 O B:HOH309 4.7 37.9 1.0 CA A:GLY89 4.8 36.8 1.0 C A:GLY18 4.9 49.6 1.0 OE2 A:GLU25 4.9 43.3 1.0 N A:ALA20 5.0 47.6 1.0 CA A:GLY18 5.0 46.9 1.0

Potassium binding site 2 out of 4 in the Crystal Structure of SZ348 in Complex with S,S-Cyclohexanediol


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Crystal Structure of SZ348 in Complex with S,S-Cyclohexanediol within 5.0Å range: probe atom residue distance (Å) B Occ A:K206 b:52.0 occ:1.00 O B:HOH319 2.7 41.8 1.0 O A:SER90 2.7 38.0 1.0 O B:SER90 2.8 42.2 1.0 C A:SER90 3.8 38.8 1.0 O A:HOH336 3.8 43.4 1.0 C B:SER90 4.0 38.5 1.0 CB A:SER91 4.5 39.0 1.0 N A:SER90 4.6 37.6 1.0 N A:SER91 4.6 39.2 1.0 CA A:SER91 4.6 38.4 1.0 CA A:SER90 4.7 38.1 1.0 CB B:SER91 4.7 44.9 1.0 N B:SER90 4.8 37.5 1.0 N B:SER91 4.9 37.7 1.0 CA B:SER91 4.9 39.4 1.0 CA B:SER90 5.0 36.0 1.0 CB A:SER90 5.0 39.7 1.0

Potassium binding site 3 out of 4 in the Crystal Structure of SZ348 in Complex with S,S-Cyclohexanediol


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Crystal Structure of SZ348 in Complex with S,S-Cyclohexanediol within 5.0Å range: probe atom residue distance (Å) B Occ B:K202 b:42.3 occ:1.00 O B:ALA19 2.7 38.8 1.0 O B:ILE88 2.8 38.1 1.0 O B:ALA16 2.9 43.1 1.0 OD1 A:ASN92 2.9 43.0 1.0 O B:ALA17 3.0 40.3 1.0 CG2 B:ILE88 3.3 36.1 1.0 CG A:ASN92 3.5 43.0 1.0 C B:ALA17 3.5 40.8 1.0 ND2 A:ASN92 3.7 43.8 1.0 C B:ALA19 3.8 41.2 1.0 C B:ILE88 3.9 34.8 1.0 C B:ALA16 3.9 41.3 1.0 CA B:ALA17 3.9 38.8 1.0 OG A:SER91 4.0 40.1 1.0 N B:ALA19 4.1 38.9 1.0 OE1 B:GLU25 4.2 35.6 1.0 CB B:SER21 4.2 38.0 1.0 N B:GLY18 4.4 38.2 1.0 N B:ALA17 4.4 41.2 1.0 CB B:ILE88 4.5 32.0 1.0 CA B:ALA19 4.5 40.3 1.0 CA B:ILE88 4.5 32.0 1.0 C B:GLY18 4.6 38.6 1.0 N B:ILE88 4.6 31.1 1.0 CB A:ASN92 4.8 39.6 1.0 CA B:GLY18 4.8 37.0 1.0 N B:SER21 4.8 35.5 1.0 N B:GLY89 4.8 30.8 1.0 N B:ALA20 4.9 39.2 1.0

Potassium binding site 4 out of 4 in the Crystal Structure of SZ348 in Complex with S,S-Cyclohexanediol


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Crystal Structure of SZ348 in Complex with S,S-Cyclohexanediol within 5.0Å range: probe atom residue distance (Å) B Occ B:K203 b:71.6 occ:1.00 O B:THR51 4.1 47.4 1.0 CG B:MET52 4.4 40.5 1.0 O B:THR128 4.4 42.9 1.0 C B:THR51 4.4 47.0 1.0 O B:ASP50 4.5 56.9 1.0 CD1 B:TYR62 4.6 38.8 1.0 CB B:MET52 4.6 38.9 1.0 O A:ARG9 4.7 51.6 1.0 CE1 B:TYR62 4.8 41.5 1.0 C B:ASP50 4.9 57.0 1.0 N B:MET52 4.9 46.3 1.0 CA A:TRP10 4.9 43.9 1.0 CA B:THR51 4.9 49.5 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.