Cobalt in PDB 8eiw: Cobalt(II)-Substituted Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N-Cyclohexylformamide

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

The structure of Cobalt(II)-Substituted Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N-Cyclohexylformamide, PDB code: 8eiw was solved by C.Zheng, I.I.Mathews, S.G.Boxer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.12 / 1.65
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.96, 71.64, 92.68, 90, 102.98, 90
R / Rfree (%)	17.8 / 20.4

The structure of Cobalt(II)-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 Cobalt atom in the Cobalt(II)-Substituted Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N-Cyclohexylformamide (pdb code 8eiw). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the Cobalt(II)-Substituted Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N-Cyclohexylformamide, PDB code: 8eiw:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Cobalt(II)-Substituted Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N-Cyclohexylformamide


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Cobalt(II)-Substituted Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N-Cyclohexylformamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Co401 b:29.2 occ:1.00 NE2 A:HIS67 2.1 28.2 1.0 SG A:CYS174 2.2 25.7 1.0 O9 A:CXF404 2.2 28.0 1.0 SG A:CYS46 2.3 25.2 1.0 C7 A:CXF404 2.9 26.5 1.0 CD2 A:HIS67 3.1 25.3 1.0 CE1 A:HIS67 3.1 26.1 1.0 CB A:CYS46 3.3 25.0 1.0 CB A:CYS174 3.3 26.6 1.0 C5N A:NAI403 3.4 22.1 1.0 OG A:SER48 4.1 26.3 1.0 C4N A:NAI403 4.1 19.8 1.0 CB A:SER48 4.1 25.7 1.0 C6N A:NAI403 4.1 20.8 1.0 N8 A:CXF404 4.2 26.2 1.0 ND1 A:HIS67 4.2 26.4 1.0 CG A:HIS67 4.2 24.3 1.0 NH2 A:ARG369 4.4 29.0 1.0 CA A:CYS174 4.7 24.2 1.0 OE1 A:GLU68 4.7 30.4 1.0 CA A:CYS46 4.8 24.3 1.0 N A:GLY175 4.9 22.7 1.0 CE2 A:PHE93 4.9 26.9 1.0

Cobalt binding site 2 out of 2 in the Cobalt(II)-Substituted Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N-Cyclohexylformamide


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Cobalt(II)-Substituted Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N-Cyclohexylformamide within 5.0Å range: probe atom residue distance (Å) B Occ B:Co401 b:27.4 occ:1.00 NE2 B:HIS67 2.1 23.6 1.0 SG B:CYS174 2.2 23.9 1.0 O9 B:CXF404 2.2 28.4 1.0 SG B:CYS46 2.3 24.3 1.0 C7 B:CXF404 2.9 28.2 1.0 CD2 B:HIS67 3.0 22.4 1.0 CE1 B:HIS67 3.1 23.1 1.0 CB B:CYS46 3.3 19.3 1.0 CB B:CYS174 3.4 21.0 1.0 C5N B:NAI403 3.4 22.2 1.0 C4N B:NAI403 4.0 17.5 1.0 OG B:SER48 4.1 21.8 1.0 C6N B:NAI403 4.1 19.4 1.0 CB B:SER48 4.1 21.5 1.0 CG B:HIS67 4.2 24.1 1.0 ND1 B:HIS67 4.2 20.4 1.0 N8 B:CXF404 4.3 26.9 1.0 NH2 B:ARG369 4.4 27.1 1.0 OE1 B:GLU68 4.7 26.2 1.0 CA B:CYS174 4.7 22.5 1.0 CA B:CYS46 4.8 21.6 1.0 N B:GLY175 4.9 21.2 1.0 CE2 B:PHE93 4.9 21.8 1.0 N B:SER48 5.0 19.4 1.0

C.Zheng, I.I.Mathews, S.G.Boxer. Structure of Cobalt(II)-Substituted Horse Liver Alcohol Dehydrogenase at 1.65 Angstroms Resolution To Be Published.