Zinc in PDB 7uc9: Horse Liver Alcohol Dehydrogenase with Nad and Trifluoroethanol at 45 K

All present enzymatic activity of Horse Liver Alcohol Dehydrogenase with Nad and Trifluoroethanol at 45 K:
1.1.1.1;

The structure of Horse Liver Alcohol Dehydrogenase with Nad and Trifluoroethanol at 45 K, PDB code: 7uc9 was solved by B.V.Plapp, L.Gakhar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.94 / 1.10
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	44.19, 51.12, 92.46, 91.9, 103.03, 109.8
R / Rfree (%)	12.6 / 15.2

The structure of Horse Liver Alcohol Dehydrogenase with Nad and Trifluoroethanol at 45 K also contains other interesting chemical elements:

Fluorine

(F)

6 atoms

The binding sites of Zinc atom in the Horse Liver Alcohol Dehydrogenase with Nad and Trifluoroethanol at 45 K (pdb code 7uc9). 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 Dehydrogenase with Nad and Trifluoroethanol at 45 K, PDB code: 7uc9:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Horse Liver Alcohol Dehydrogenase with Nad and Trifluoroethanol at 45 K


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 Dehydrogenase with Nad and Trifluoroethanol at 45 K within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:9.4 occ:1.00 O A:ETF404 1.9 9.3 1.0 NE2 A:HIS67 2.0 9.7 1.0 SG A:CYS174 2.3 9.4 1.0 SG A:CYS46 2.3 9.3 1.0 C2 A:ETF404 2.9 10.0 1.0 CE1 A:HIS67 3.0 8.1 1.0 CD2 A:HIS67 3.1 9.4 1.0 CB A:CYS46 3.3 9.8 1.0 C5N A:NAJ403 3.4 8.2 1.0 CB A:CYS174 3.4 8.8 1.0 OG A:SER48 3.7 8.9 1.0 C4N A:NAJ403 3.9 8.7 1.0 C6N A:NAJ403 4.0 8.2 1.0 CB A:SER48 4.0 8.7 1.0 ND1 A:HIS67 4.2 9.2 1.0 C1 A:ETF404 4.2 11.2 1.0 CG A:HIS67 4.2 8.6 1.0 F3 A:ETF404 4.6 13.1 1.0 NH2 A:ARG369 4.7 9.9 1.0 CA A:CYS174 4.7 8.2 1.0 CA A:CYS46 4.8 9.7 1.0 F1 A:ETF404 4.8 12.8 1.0 N A:SER48 4.8 8.5 1.0 CE2 A:PHE93 4.9 9.3 1.0 OE2 A:GLU68 4.9 10.7 1.0 N1N A:NAJ403 4.9 7.6 1.0 C3N A:NAJ403 5.0 7.7 1.0

Zinc binding site 2 out of 4 in the Horse Liver Alcohol Dehydrogenase with Nad and Trifluoroethanol at 45 K


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 Dehydrogenase with Nad and Trifluoroethanol at 45 K within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:10.7 occ:1.00 SG A:CYS111 2.3 10.3 1.0 SG A:CYS97 2.3 12.4 1.0 SG A:CYS103 2.3 10.4 1.0 SG A:CYS100 2.3 11.2 1.0 CB A:CYS111 3.3 9.8 1.0 CB A:CYS103 3.4 10.9 1.0 CB A:CYS100 3.4 13.2 1.0 CB A:CYS97 3.4 13.0 1.0 N A:CYS97 3.5 10.1 1.0 CA A:CYS111 3.8 9.7 1.0 N A:CYS100 3.9 13.7 1.0 CA A:CYS97 3.9 11.5 1.0 N A:GLY98 4.0 11.6 1.0 N A:LEU112 4.0 9.8 1.0 CA A:CYS100 4.2 13.0 1.0 N A:CYS103 4.2 10.1 1.0 C A:CYS97 4.3 11.9 1.0 C A:CYS111 4.3 9.6 1.0 CA A:CYS103 4.4 10.5 1.0 N A:LYS99 4.5 13.4 1.0 C A:GLN96 4.6 9.9 1.0 C A:CYS100 4.8 12.8 1.0 N A:LYS113 4.9 10.8 1.0 CG A:LYS113 4.9 15.6 1.0 O A:CYS100 4.9 12.3 1.0 CA A:GLN96 4.9 9.7 1.0 O A:HOH880 5.0 29.8 1.0

Zinc binding site 3 out of 4 in the Horse Liver Alcohol Dehydrogenase with Nad and Trifluoroethanol at 45 K


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 Dehydrogenase with Nad and Trifluoroethanol at 45 K within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn401 b:12.2 occ:1.00 O B:ETF404 1.9 12.6 1.0 NE2 B:HIS67 2.0 12.5 1.0 SG B:CYS174 2.3 12.1 1.0 SG B:CYS46 2.4 11.9 1.0 C2 B:ETF404 2.9 12.7 1.0 CE1 B:HIS67 3.0 11.0 1.0 CD2 B:HIS67 3.1 12.0 1.0 CB B:CYS46 3.3 12.0 1.0 C5N B:NAJ403 3.3 10.5 1.0 CB B:CYS174 3.4 11.0 1.0 OG B:SER48 3.8 11.8 1.0 C4N B:NAJ403 3.9 10.4 1.0 C6N B:NAJ403 3.9 9.9 1.0 CB B:SER48 4.0 10.9 1.0 ND1 B:HIS67 4.2 11.9 1.0 CG B:HIS67 4.2 12.0 1.0 C1 B:ETF404 4.2 14.0 1.0 F3 B:ETF404 4.6 15.8 1.0 NH2 B:ARG369 4.6 12.9 1.0 CA B:CYS174 4.7 10.8 1.0 CA B:CYS46 4.8 11.8 1.0 F1 B:ETF404 4.8 15.7 1.0 N B:SER48 4.8 11.2 1.0 OE2 B:GLU68 4.9 13.8 1.0 CE2 B:PHE93 4.9 11.0 1.0 N1N B:NAJ403 4.9 10.2 1.0 C3N B:NAJ403 5.0 9.3 1.0

Zinc binding site 4 out of 4 in the Horse Liver Alcohol Dehydrogenase with Nad and Trifluoroethanol at 45 K


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 Dehydrogenase with Nad and Trifluoroethanol at 45 K within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn402 b:13.7 occ:1.00 SG B:CYS111 2.3 13.3 1.0 SG B:CYS100 2.4 14.2 1.0 SG B:CYS103 2.4 12.7 1.0 SG B:CYS97 2.4 16.2 1.0 CB B:CYS111 3.3 12.9 1.0 CB B:CYS103 3.4 13.1 1.0 CB B:CYS100 3.4 15.4 1.0 CB B:CYS97 3.4 17.4 1.0 N B:CYS97 3.5 13.7 1.0 CA B:CYS111 3.7 11.5 1.0 N B:CYS100 3.9 15.9 1.0 CA B:CYS97 3.9 15.8 1.0 N B:LEU112 4.0 12.8 1.0 N B:GLY98 4.0 16.0 1.0 CA B:CYS100 4.2 16.5 1.0 N B:CYS103 4.2 12.7 1.0 C B:CYS111 4.3 12.2 1.0 C B:CYS97 4.3 16.7 1.0 CA B:CYS103 4.3 12.4 1.0 N B:LYS99 4.5 17.8 1.0 C B:GLN96 4.6 12.9 1.0 C B:CYS100 4.8 15.2 1.0 N B:LYS113 4.8 12.9 1.0 CG B:LYS113 4.9 19.1 1.0 CA B:GLN96 4.9 12.5 1.0 O B:CYS100 4.9 15.2 1.0 O B:HOH820 5.0 30.3 1.0

B.V.Plapp, L.Gakhar, R.Subramanian. Dependence of Crystallographic Atomic Displacement Factors on Temperature (25-150 K) For Complexes of Horse Liver Alcohol Dehydrogenases Acta Crystallogr.,Sect.D V. D78 1221 2022.
ISSN: ESSN 1399-0047
DOI: 10.1107/S2059798322008361