Zinc in PDB 7utw: Cd-Substituted Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N-Cyclohexylformamide

All present enzymatic activity of Cd-Substituted Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N-Cyclohexylformamide:
1.1.1.1;

The structure of Cd-Substituted Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N-Cyclohexylformamide, PDB code: 7utw was solved by C.Zheng, S.G.Boxer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.02 / 1.33
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	44.206, 50.807, 92.903, 92.39, 102.93, 109.33
R / Rfree (%)	13.8 / 16.5

The structure of Cd-Substituted Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N-Cyclohexylformamide also contains other interesting chemical elements:

Cadmium

(Cd)

2 atoms

The binding sites of Zinc atom in the Cd-Substituted Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N-Cyclohexylformamide (pdb code 7utw). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Cd-Substituted Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N-Cyclohexylformamide, PDB code: 7utw:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Cd-Substituted Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N-Cyclohexylformamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Cd-Substituted Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N-Cyclohexylformamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:11.3 occ:1.00 SG A:CYS100 2.3 12.5 1.0 SG A:CYS97 2.4 13.9 1.0 SG A:CYS111 2.4 11.4 1.0 SG A:CYS103 2.4 12.1 1.0 CB A:CYS97 3.4 14.2 1.0 CB A:CYS111 3.4 11.4 1.0 CB A:CYS100 3.4 13.2 1.0 CB A:CYS103 3.4 12.5 1.0 N A:CYS97 3.5 13.0 1.0 CA A:CYS111 3.8 10.6 1.0 N A:CYS100 3.8 15.3 1.0 CA A:CYS97 3.9 13.4 1.0 N A:GLY98 4.0 13.8 1.0 N A:LEU112 4.0 11.1 1.0 N A:CYS103 4.2 12.0 1.0 CA A:CYS100 4.2 14.4 1.0 C A:CYS97 4.3 15.2 1.0 C A:CYS111 4.3 10.3 1.0 CA A:CYS103 4.4 13.1 1.0 N A:LYS99 4.4 17.8 1.0 C A:GLN96 4.7 12.9 1.0 CG A:LYS113 4.7 17.8 1.0 N A:LYS113 4.8 11.7 1.0 C A:CYS100 4.9 14.0 1.0 O A:CYS100 4.9 14.0 1.0 CA A:GLN96 4.9 11.7 1.0 C A:LYS99 4.9 17.8 1.0 CA A:GLY98 5.0 16.4 1.0

Zinc binding site 2 out of 2 in the Cd-Substituted Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N-Cyclohexylformamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Cd-Substituted Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N-Cyclohexylformamide within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn402 b:14.5 occ:1.00 SG B:CYS111 2.4 14.7 1.0 SG B:CYS100 2.4 15.5 1.0 SG B:CYS97 2.4 17.6 1.0 SG B:CYS103 2.4 14.9 1.0 CB B:CYS100 3.4 17.1 1.0 CB B:CYS111 3.4 14.1 1.0 CB B:CYS103 3.4 15.2 1.0 CB B:CYS97 3.4 18.4 1.0 N B:CYS97 3.5 16.2 1.0 CA B:CYS111 3.8 13.3 1.0 N B:CYS100 3.8 18.4 1.0 CA B:CYS97 3.9 18.0 1.0 N B:GLY98 4.0 17.4 1.0 N B:LEU112 4.0 14.1 1.0 CA B:CYS100 4.2 17.8 1.0 N B:CYS103 4.2 13.7 1.0 C B:CYS111 4.3 14.4 1.0 C B:CYS97 4.3 19.1 1.0 CA B:CYS103 4.4 14.7 1.0 N B:LYS99 4.5 19.3 1.0 C B:GLN96 4.6 15.6 1.0 N B:LYS113 4.8 15.9 1.0 C B:CYS100 4.8 17.6 1.0 O B:CYS100 4.9 17.2 1.0 CG B:LYS113 4.9 21.6 1.0 CA B:GLN96 5.0 14.5 1.0 CA B:GLY98 5.0 19.1 1.0 C B:LYS99 5.0 20.8 1.0

C.Zheng, S.G.Boxer. Structure of Cd-Substituted Horse Liver Alcohol Dehydrogenase at 1.33 Angstroms Resolution To Be Published.