Cadmium 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:

Zinc

(Zn)

2 atoms

The binding sites of Cadmium 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 Cadmium atom.
In total 2 binding sites of Cadmium where determined in the Cd-Substituted Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N-Cyclohexylformamide, PDB code: 7utw:
Jump to Cadmium binding site number: 1; 2;

Cadmium 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 Cadmium with other atoms in the Cd 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:Cd401 b:13.8 occ:1.00 NE2 A:HIS67 2.3 12.6 1.0 SG A:CYS174 2.3 12.5 1.0 O9 A:CXF404 2.4 13.2 1.0 SG A:CYS46 2.4 11.3 1.0 C7 A:CXF404 3.1 12.5 1.0 CD2 A:HIS67 3.2 12.7 1.0 CE1 A:HIS67 3.2 12.2 1.0 CB A:CYS46 3.3 10.8 1.0 C5N A:NAI403 3.3 9.4 1.0 CB A:CYS174 3.3 10.9 1.0 C4N A:NAI403 3.9 9.4 1.0 C6N A:NAI403 4.0 10.2 1.0 OG A:SER48 4.0 11.8 1.0 CB A:SER48 4.2 11.3 1.0 NH2 A:ARG369 4.3 12.8 1.0 OE2 A:GLU68 4.3 13.7 1.0 ND1 A:HIS67 4.4 11.4 1.0 N8 A:CXF404 4.4 14.2 1.0 CG A:HIS67 4.4 11.5 1.0 CA A:CYS174 4.7 9.7 1.0 CA A:CYS46 4.8 11.1 1.0 N A:GLY175 4.8 10.5 1.0 C A:CYS174 4.9 10.2 1.0 N A:SER48 5.0 10.3 1.0

Cadmium 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 Cadmium with other atoms in the Cd 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:Cd401 b:16.2 occ:1.00 NE2 B:HIS67 2.3 15.7 1.0 O9 B:CXF404 2.4 15.3 1.0 SG B:CYS174 2.4 15.4 1.0 SG B:CYS46 2.4 13.2 1.0 C7 B:CXF404 3.1 15.5 1.0 CE1 B:HIS67 3.2 14.1 1.0 CD2 B:HIS67 3.3 15.5 1.0 CB B:CYS46 3.3 13.1 1.0 CB B:CYS174 3.3 13.6 1.0 C5N B:NAI403 3.4 12.6 1.0 C6N B:NAI403 4.0 13.3 1.0 C4N B:NAI403 4.0 12.9 1.0 OG B:SER48 4.1 13.8 1.0 CB B:SER48 4.2 13.3 1.0 NH2 B:ARG369 4.2 15.4 1.0 ND1 B:HIS67 4.4 13.9 1.0 OE1 B:GLU68 4.4 16.4 1.0 CG B:HIS67 4.4 14.1 1.0 N8 B:CXF404 4.4 17.1 1.0 CA B:CYS174 4.7 12.6 1.0 CA B:CYS46 4.8 12.9 1.0 N B:GLY175 4.9 12.5 1.0 C B:CYS174 4.9 12.3 1.0 N B:SER48 5.0 12.5 1.0

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