Zinc in PDB 8ect: F93AL57A Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N- Cyclohexylformamide

All present enzymatic activity of F93AL57A Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N- Cyclohexylformamide:
1.1.1.1;

The structure of F93AL57A Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N- Cyclohexylformamide, PDB code: 8ect 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)	37.43 / 1.60
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	44.01, 49.94, 92.65, 92.67, 102.92, 108.2
R / Rfree (%)	17.8 / 19.2

The binding sites of Zinc atom in the F93AL57A Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N- Cyclohexylformamide (pdb code 8ect). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the F93AL57A Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N- Cyclohexylformamide, PDB code: 8ect:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the F93AL57A 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 F93AL57A Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N- Cyclohexylformamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:26.3 occ:1.00 NE2 A:HIS67 2.1 23.8 1.0 O9 A:CXF404 2.2 26.8 1.0 SG A:CYS46 2.3 25.4 1.0 SG A:CYS174 2.3 24.0 1.0 C7 A:CXF404 2.9 25.3 1.0 CE1 A:HIS67 3.1 27.0 1.0 CD2 A:HIS67 3.2 23.0 1.0 CB A:CYS46 3.3 26.4 1.0 CB A:CYS174 3.3 24.3 1.0 C5N A:NAI403 3.5 22.5 1.0 OG A:SER48 4.0 24.9 1.0 CB A:SER48 4.0 28.1 1.0 C4N A:NAI403 4.1 23.7 1.0 N8 A:CXF404 4.2 28.3 1.0 ND1 A:HIS67 4.2 25.6 1.0 C6N A:NAI403 4.2 25.2 1.0 CG A:HIS67 4.3 26.9 1.0 OE1 A:GLU68 4.5 30.3 1.0 CA A:CYS174 4.7 24.5 1.0 CA A:CYS46 4.7 27.6 1.0 NH2 A:ARG369 4.7 29.8 1.0 N A:GLY175 4.9 26.5 1.0 N A:SER48 4.9 26.4 1.0 C1 A:CXF404 5.0 26.5 1.0 O A:HOH695 5.0 27.5 1.0

Zinc binding site 2 out of 4 in the F93AL57A 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 F93AL57A 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:28.9 occ:1.00 SG A:CYS111 2.3 26.1 1.0 SG A:CYS97 2.3 30.9 1.0 SG A:CYS103 2.4 28.2 1.0 SG A:CYS100 2.4 28.9 1.0 CB A:CYS111 3.3 26.7 1.0 CB A:CYS100 3.4 31.6 1.0 CB A:CYS103 3.4 29.3 1.0 CB A:CYS97 3.4 29.6 1.0 N A:CYS97 3.5 26.8 1.0 CA A:CYS111 3.7 26.3 1.0 N A:CYS100 3.9 32.6 1.0 CA A:CYS97 3.9 30.1 1.0 N A:GLY98 3.9 31.0 1.0 N A:LEU112 4.0 27.3 1.0 CA A:CYS100 4.2 35.5 1.0 N A:CYS103 4.2 29.5 1.0 C A:CYS111 4.3 28.0 1.0 C A:CYS97 4.3 33.4 1.0 CA A:CYS103 4.4 29.5 1.0 N A:LYS99 4.5 35.2 1.0 C A:GLN96 4.6 28.0 1.0 CG A:LYS113 4.7 34.0 1.0 N A:LYS113 4.8 26.5 1.0 C A:CYS100 4.8 32.6 1.0 CA A:GLN96 4.9 26.9 1.0 CA A:GLY98 4.9 34.0 1.0 O A:CYS100 5.0 33.3 1.0

Zinc binding site 3 out of 4 in the F93AL57A 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 3 of F93AL57A Horse Liver Alcohol Dehydrogenase in Complex with Nadh and N- Cyclohexylformamide within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn401 b:30.1 occ:1.00 O9 B:CXF404 2.1 29.7 1.0 NE2 B:HIS67 2.2 29.9 1.0 SG B:CYS174 2.3 27.5 1.0 SG B:CYS46 2.3 29.1 1.0 C7 B:CXF404 2.8 29.0 1.0 CE1 B:HIS67 3.2 28.3 1.0 CD2 B:HIS67 3.2 28.3 1.0 CB B:CYS46 3.3 28.0 1.0 CB B:CYS174 3.4 29.0 1.0 C5N B:NAI403 3.4 28.4 1.0 CB B:SER48 4.0 27.7 1.0 OG B:SER48 4.0 28.3 1.0 C4N B:NAI403 4.1 27.9 1.0 N8 B:CXF404 4.1 28.3 1.0 C6N B:NAI403 4.2 28.3 1.0 ND1 B:HIS67 4.3 27.9 1.0 CG B:HIS67 4.4 30.4 1.0 OE1 B:GLU68 4.5 30.8 1.0 NH2 B:ARG369 4.6 32.9 1.0 CA B:CYS46 4.7 25.9 1.0 CA B:CYS174 4.7 27.5 1.0 N B:GLY175 4.9 28.4 1.0 N B:SER48 4.9 29.2 1.0 C1 B:CXF404 5.0 33.2 1.0

Zinc binding site 4 out of 4 in the F93AL57A 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 4 of F93AL57A 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:30.0 occ:1.00 SG B:CYS103 2.3 29.6 1.0 SG B:CYS100 2.3 31.3 1.0 SG B:CYS97 2.4 29.7 1.0 SG B:CYS111 2.4 29.3 1.0 CB B:CYS103 3.3 29.6 1.0 CB B:CYS111 3.3 28.5 1.0 CB B:CYS100 3.4 30.8 1.0 CB B:CYS97 3.5 27.8 1.0 N B:CYS97 3.5 29.4 1.0 N B:CYS100 3.8 32.9 1.0 CA B:CYS111 3.8 28.3 1.0 N B:GLY98 3.9 31.4 1.0 CA B:CYS97 3.9 31.2 1.0 N B:LEU112 4.0 29.8 1.0 CA B:CYS100 4.2 35.2 1.0 N B:CYS103 4.2 31.6 1.0 CA B:CYS103 4.3 31.5 1.0 C B:CYS111 4.3 29.4 1.0 C B:CYS97 4.3 31.8 1.0 N B:LYS99 4.4 33.0 1.0 C B:GLN96 4.6 31.4 1.0 C B:CYS100 4.8 32.7 1.0 N B:LYS113 4.8 29.9 1.0 CG B:LYS113 4.9 32.5 1.0 CA B:GLN96 4.9 27.1 1.0 O B:CYS100 4.9 32.0 1.0 CA B:GLY98 4.9 29.8 1.0 C B:LYS99 4.9 35.9 1.0

C.Zheng, I.I.Mathews, S.G.Boxer. Structure of F93AL57A Horse Liver Alcohol Dehydrogenase at 1.60 Angstroms Resolution To Be Published.