Zinc in PDB 8g2s: Horse Liver Alcohol Dehydrogense His-51-Gln Form Complexed with Nad+ and Capric Acid

All present enzymatic activity of Horse Liver Alcohol Dehydrogense His-51-Gln Form Complexed with Nad+ and Capric Acid:
1.1.1.1;

The structure of Horse Liver Alcohol Dehydrogense His-51-Gln Form Complexed with Nad+ and Capric Acid, PDB code: 8g2s was solved by B.V.Plapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.98 / 1.45
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	44.24, 51.25, 92.46, 92.01, 102.87, 109.91
R / Rfree (%)	15.6 / 18.9

The binding sites of Zinc atom in the Horse Liver Alcohol Dehydrogense His-51-Gln Form Complexed with Nad+ and Capric Acid (pdb code 8g2s). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Horse Liver Alcohol Dehydrogense His-51-Gln Form Complexed with Nad+ and Capric Acid, PDB code: 8g2s:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Horse Liver Alcohol Dehydrogense His-51-Gln Form Complexed with Nad+ and Capric Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Horse Liver Alcohol Dehydrogense His-51-Gln Form Complexed with Nad+ and Capric Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:11.3 occ:1.00 O2 A:DKA404 2.0 13.2 0.6 NE2 A:HIS67 2.0 8.4 1.0 O1 A:DKA404 2.1 10.0 0.4 SG A:CYS174 2.3 10.4 1.0 SG A:CYS46 2.4 12.2 1.0 C1 A:DKA404 2.9 11.4 0.4 CD2 A:HIS67 3.0 8.5 1.0 C1 A:DKA404 3.0 16.9 0.6 O2 A:DKA404 3.1 15.8 0.4 CE1 A:HIS67 3.1 9.4 1.0 CB A:CYS46 3.3 10.9 1.0 CB A:CYS174 3.4 9.3 1.0 C5N A:NAJ403 3.4 9.3 1.0 C2 A:DKA404 3.5 16.5 0.6 C4N A:NAJ403 4.0 9.8 1.0 C6N A:NAJ403 4.0 9.1 1.0 OG A:SER48 4.1 11.4 1.0 O1 A:DKA404 4.1 18.3 0.6 ND1 A:HIS67 4.2 9.6 1.0 CG A:HIS67 4.2 9.4 1.0 CB A:SER48 4.2 10.1 1.0 C2 A:DKA404 4.3 12.6 0.4 NH2 A:ARG369 4.6 14.0 1.0 CA A:CYS174 4.7 8.7 1.0 CE2 A:PHE93 4.8 9.5 1.0 CA A:CYS46 4.8 10.9 1.0 OE2 A:GLU68 4.9 12.9 1.0 N A:SER48 5.0 10.8 1.0

Zinc binding site 2 out of 4 in the Horse Liver Alcohol Dehydrogense His-51-Gln Form Complexed with Nad+ and Capric Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Horse Liver Alcohol Dehydrogense His-51-Gln Form Complexed with Nad+ and Capric Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:11.0 occ:1.00 SG A:CYS97 2.3 12.1 1.0 SG A:CYS100 2.3 11.9 1.0 SG A:CYS103 2.3 10.9 1.0 SG A:CYS111 2.4 10.8 1.0 CB A:CYS111 3.3 10.7 1.0 CB A:CYS103 3.4 11.0 1.0 CB A:CYS97 3.4 10.9 1.0 CB A:CYS100 3.4 11.9 1.0 N A:CYS97 3.5 9.5 1.0 CA A:CYS111 3.8 10.1 1.0 CA A:CYS97 3.9 10.7 1.0 N A:CYS100 3.9 14.0 1.0 N A:GLY98 4.0 12.2 1.0 N A:LEU112 4.0 10.2 1.0 N A:CYS103 4.2 10.5 1.0 CA A:CYS100 4.2 13.2 1.0 C A:CYS111 4.3 10.1 1.0 C A:CYS97 4.3 11.3 1.0 CA A:CYS103 4.4 11.3 1.0 N A:LYS99 4.5 15.3 1.0 C A:GLN96 4.6 10.0 1.0 N A:LYS113 4.9 10.9 1.0 C A:CYS100 4.9 11.5 1.0 CA A:GLN96 4.9 9.7 1.0 O A:CYS100 4.9 11.9 1.0 O A:HOH841 5.0 23.6 1.0 CG A:LYS113 5.0 16.2 1.0 CA A:GLY98 5.0 12.9 1.0

Zinc binding site 3 out of 4 in the Horse Liver Alcohol Dehydrogense His-51-Gln Form Complexed with Nad+ and Capric Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Horse Liver Alcohol Dehydrogense His-51-Gln Form Complexed with Nad+ and Capric Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn401 b:13.6 occ:1.00 O1 B:DKA404 2.0 14.2 0.7 NE2 B:HIS67 2.0 11.1 1.0 O2 B:DKA404 2.0 13.0 0.3 SG B:CYS174 2.3 13.2 1.0 SG B:CYS46 2.4 13.8 1.0 C1 B:DKA404 2.9 14.9 0.3 CD2 B:HIS67 3.0 11.7 1.0 CE1 B:HIS67 3.0 12.2 1.0 C1 B:DKA404 3.1 19.4 0.7 O1 B:DKA404 3.2 15.9 0.3 CB B:CYS46 3.3 12.5 1.0 CB B:CYS174 3.4 11.5 1.0 C5N B:NAJ403 3.4 9.5 1.0 C2 B:DKA404 3.7 19.3 0.7 C4N B:NAJ403 3.9 10.7 1.0 C6N B:NAJ403 4.1 10.6 1.0 OG B:SER48 4.1 12.8 1.0 ND1 B:HIS67 4.1 12.1 1.0 CB B:SER48 4.1 11.8 1.0 CG B:HIS67 4.1 11.0 1.0 O2 B:DKA404 4.2 22.6 0.7 C2 B:DKA404 4.3 15.4 0.3 NH2 B:ARG369 4.6 15.0 1.0 CA B:CYS174 4.7 11.0 1.0 CA B:CYS46 4.8 13.0 1.0 CE2 B:PHE93 4.8 12.1 1.0 N B:SER48 5.0 12.4 1.0 OE2 B:GLU68 5.0 14.9 1.0

Zinc binding site 4 out of 4 in the Horse Liver Alcohol Dehydrogense His-51-Gln Form Complexed with Nad+ and Capric Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Horse Liver Alcohol Dehydrogense His-51-Gln Form Complexed with Nad+ and Capric Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn402 b:13.7 occ:1.00 SG B:CYS97 2.3 15.6 1.0 SG B:CYS100 2.3 13.8 1.0 SG B:CYS111 2.4 13.6 1.0 SG B:CYS103 2.4 13.1 1.0 CB B:CYS100 3.4 14.5 1.0 CB B:CYS111 3.4 10.8 1.0 CB B:CYS103 3.4 13.9 1.0 CB B:CYS97 3.4 13.3 1.0 N B:CYS97 3.5 13.4 1.0 CA B:CYS111 3.7 11.2 1.0 N B:CYS100 3.8 16.1 1.0 CA B:CYS97 3.9 14.9 1.0 N B:LEU112 4.0 13.4 1.0 N B:GLY98 4.0 16.0 1.0 CA B:CYS100 4.2 15.3 1.0 N B:CYS103 4.2 12.5 1.0 C B:CYS111 4.3 12.2 1.0 C B:CYS97 4.4 15.7 1.0 CA B:CYS103 4.4 12.9 1.0 N B:LYS99 4.5 18.9 1.0 C B:GLN96 4.6 12.5 1.0 N B:LYS113 4.8 14.2 1.0 C B:CYS100 4.8 14.3 1.0 CA B:GLN96 4.9 12.8 1.0 O B:CYS100 4.9 14.4 1.0 O B:HOH814 5.0 26.4 1.0 C B:LYS99 5.0 22.6 1.0 CG B:LYS113 5.0 18.0 1.0

B.V.Plapp, E.G.Kovaleva. Histidine-51 Facilitates Deprotonation of the Zinc-Bound Ligand During Catalysis By Horse Liver Alcohol Dehydrogenase To Be Published.