Zinc in PDB 6cxx: Horse Liver E267H Alcohol Dehydrogenase Complex with 3'- Dephosphocoenzyme A

All present enzymatic activity of Horse Liver E267H Alcohol Dehydrogenase Complex with 3'- Dephosphocoenzyme A:
1.1.1.1;

The structure of Horse Liver E267H Alcohol Dehydrogenase Complex with 3'- Dephosphocoenzyme A, PDB code: 6cxx 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)	20.00 / 1.26
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.210, 73.080, 181.610, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 20.8

The binding sites of Zinc atom in the Horse Liver E267H Alcohol Dehydrogenase Complex with 3'- Dephosphocoenzyme A (pdb code 6cxx). 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 E267H Alcohol Dehydrogenase Complex with 3'- Dephosphocoenzyme A, PDB code: 6cxx:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Horse Liver E267H Alcohol Dehydrogenase Complex with 3'- Dephosphocoenzyme A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Horse Liver E267H Alcohol Dehydrogenase Complex with 3'- Dephosphocoenzyme A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:13.0 occ:1.00 NE2 A:HIS67 2.1 11.1 1.0 SG A:CYS174 2.2 13.5 1.0 S44 A:COD403 2.3 12.5 1.0 SG A:CYS46 2.4 14.1 1.0 CD2 A:HIS67 3.1 12.7 1.0 CE1 A:HIS67 3.1 14.0 1.0 C43 A:COD403 3.3 14.2 1.0 CB A:CYS174 3.4 11.6 1.0 CB A:CYS46 3.5 12.1 1.0 O A:HOH751 3.9 16.1 1.0 ND1 A:HIS67 4.2 11.6 1.0 CG A:HIS67 4.2 9.8 1.0 O A:HOH695 4.4 18.3 1.0 O A:HOH694 4.4 18.1 1.0 CB A:SER48 4.4 12.5 1.0 OG A:SER48 4.4 12.6 1.0 C42 A:COD403 4.7 14.6 1.0 CA A:CYS174 4.8 10.9 1.0 CA A:CYS46 4.9 12.6 1.0 N A:SER48 4.9 12.4 1.0 CE2 A:PHE93 5.0 13.2 1.0

Zinc binding site 2 out of 4 in the Horse Liver E267H Alcohol Dehydrogenase Complex with 3'- Dephosphocoenzyme A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Horse Liver E267H Alcohol Dehydrogenase Complex with 3'- Dephosphocoenzyme A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:13.6 occ:1.00 SG A:CYS100 2.3 13.6 1.0 SG A:CYS97 2.3 14.2 1.0 SG A:CYS111 2.3 12.3 1.0 SG A:CYS103 2.4 13.7 1.0 CB A:CYS111 3.3 13.1 1.0 CB A:CYS103 3.4 13.7 1.0 CB A:CYS100 3.4 16.0 1.0 CB A:CYS97 3.5 14.5 1.0 N A:CYS97 3.6 12.8 1.0 CA A:CYS111 3.8 13.2 1.0 N A:CYS100 3.9 17.4 1.0 CA A:CYS97 3.9 14.1 1.0 N A:LEU112 4.0 13.0 1.0 N A:GLY98 4.0 15.7 1.0 N A:CYS103 4.2 12.8 1.0 CA A:CYS100 4.2 17.0 1.0 C A:CYS111 4.3 12.6 1.0 CA A:CYS103 4.4 13.8 1.0 C A:CYS97 4.4 16.4 1.0 N A:LYS99 4.5 17.3 1.0 C A:GLN96 4.7 11.9 1.0 N A:LYS113 4.8 13.6 1.0 CG A:LYS113 4.8 21.9 1.0 C A:CYS100 4.8 15.6 1.0 O A:HOH748 4.9 30.3 1.0 O A:CYS100 4.9 15.7 1.0 CA A:GLN96 5.0 11.3 1.0

Zinc binding site 3 out of 4 in the Horse Liver E267H Alcohol Dehydrogenase Complex with 3'- Dephosphocoenzyme A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Horse Liver E267H Alcohol Dehydrogenase Complex with 3'- Dephosphocoenzyme A within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn402 b:13.4 occ:1.00 NE2 B:HIS67 2.1 11.5 1.0 SG B:CYS174 2.3 13.8 1.0 S44 B:COD404 2.3 13.3 1.0 SG B:CYS46 2.4 14.4 1.0 CE1 B:HIS67 3.1 14.7 1.0 CD2 B:HIS67 3.1 13.1 1.0 C43 B:COD404 3.3 14.8 1.0 CB B:CYS174 3.4 10.3 1.0 CB B:CYS46 3.4 14.4 1.0 O B:HOH722 4.0 15.1 1.0 ND1 B:HIS67 4.2 10.4 1.0 CG B:HIS67 4.2 10.4 1.0 O B:HOH682 4.3 19.4 1.0 CB B:SER48 4.3 12.4 1.0 OG B:SER48 4.4 15.3 1.0 O B:HOH662 4.5 17.9 1.0 C42 B:COD404 4.7 15.1 1.0 CA B:CYS174 4.8 9.7 1.0 N B:SER48 4.8 13.2 1.0 CA B:CYS46 4.9 13.3 1.0 CE2 B:PHE93 5.0 12.9 1.0

Zinc binding site 4 out of 4 in the Horse Liver E267H Alcohol Dehydrogenase Complex with 3'- Dephosphocoenzyme A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Horse Liver E267H Alcohol Dehydrogenase Complex with 3'- Dephosphocoenzyme A within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn403 b:14.7 occ:1.00 SG B:CYS111 2.3 14.3 1.0 SG B:CYS97 2.3 15.4 1.0 SG B:CYS100 2.3 14.6 1.0 SG B:CYS103 2.4 14.6 1.0 CB B:CYS111 3.3 14.4 1.0 CB B:CYS97 3.4 13.9 1.0 CB B:CYS103 3.4 14.7 1.0 CB B:CYS100 3.5 16.8 1.0 N B:CYS97 3.6 13.0 1.0 CA B:CYS111 3.7 13.1 1.0 CA B:CYS97 3.9 14.5 1.0 N B:CYS100 3.9 17.7 1.0 N B:LEU112 4.0 14.8 1.0 N B:GLY98 4.0 17.6 1.0 N B:CYS103 4.1 14.0 1.0 C B:CYS111 4.2 12.0 1.0 CA B:CYS100 4.3 18.7 1.0 C B:CYS97 4.3 17.7 1.0 CA B:CYS103 4.3 14.5 1.0 N B:LYS99 4.5 18.0 1.0 C B:GLN96 4.7 13.2 1.0 CG B:LYS113 4.7 21.5 1.0 N B:LYS113 4.8 14.6 1.0 C B:CYS100 4.9 17.9 1.0 CA B:GLN96 4.9 13.8 1.0 O B:CYS100 5.0 15.9 1.0 CA B:GLY98 5.0 20.2 1.0

Y.H.Kim, D.S.Gogerty, B.V.Plapp. Substitutions of A Buried Glutamate Residue Hinder the Conformational Change in Horse Liver Alcohol Dehydrogenase and Yield A Surprising Complex with Endogenous 3'-Dephosphocoenzyme A. Arch. Biochem. Biophys. V. 653 97 2018.
ISSN: ESSN 1096-0384
PubMed: 30018019
DOI: 10.1016/J.ABB.2018.07.003