Zinc in PDB 1ee2: The Structure of Steroid-Active Alcohol Dehydrogenase at 1.54 A Resolution

All present enzymatic activity of The Structure of Steroid-Active Alcohol Dehydrogenase at 1.54 A Resolution:
1.1.1.1;

The structure of The Structure of Steroid-Active Alcohol Dehydrogenase at 1.54 A Resolution, PDB code: 1ee2 was solved by H.W.Adolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.54
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	55.030, 73.160, 92.490, 90.00, 102.48, 90.00
R / Rfree (%)	14.5 / 18.3

The binding sites of Zinc atom in the The Structure of Steroid-Active Alcohol Dehydrogenase at 1.54 A Resolution (pdb code 1ee2). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the The Structure of Steroid-Active Alcohol Dehydrogenase at 1.54 A Resolution, PDB code: 1ee2:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the The Structure of Steroid-Active Alcohol Dehydrogenase at 1.54 A Resolution


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of The Structure of Steroid-Active Alcohol Dehydrogenase at 1.54 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1300 b:10.4 occ:1.00 O26 A:CHD1150 2.0 12.8 1.0 NE2 A:HIS67 2.0 9.7 1.0 SG A:CYS173 2.3 9.3 1.0 SG A:CYS46 2.4 8.9 1.0 CE1 A:HIS67 3.0 10.7 1.0 CD2 A:HIS67 3.1 10.8 1.0 C24 A:CHD1150 3.1 24.6 1.0 CB A:CYS46 3.3 9.5 1.0 CB A:CYS173 3.4 9.8 1.0 C5N A:NAD1100 3.5 7.8 1.0 C23 A:CHD1150 3.9 28.5 1.0 C4N A:NAD1100 4.0 8.2 1.0 C6N A:NAD1100 4.1 9.8 1.0 ND1 A:HIS67 4.2 10.2 1.0 CG A:HIS67 4.2 10.2 1.0 O25 A:CHD1150 4.2 21.7 1.0 CB A:SER48 4.2 11.9 1.0 OG A:SER48 4.2 16.1 1.0 NH2 A:ARG368 4.6 10.7 1.0 CA A:CYS46 4.8 8.2 1.0 CA A:CYS173 4.8 9.4 1.0 CE2 A:PHE93 4.8 11.6 1.0 N A:SER48 5.0 8.9 1.0 OE2 A:GLU68 5.0 12.9 1.0

Zinc binding site 2 out of 4 in the The Structure of Steroid-Active Alcohol Dehydrogenase at 1.54 A Resolution


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of The Structure of Steroid-Active Alcohol Dehydrogenase at 1.54 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1301 b:12.3 occ:1.00 SG A:CYS100 2.3 11.5 1.0 SG A:CYS111 2.4 9.9 1.0 SG A:CYS97 2.4 11.5 1.0 SG A:CYS103 2.4 10.7 1.0 CB A:CYS103 3.4 14.4 1.0 CB A:CYS111 3.4 10.8 1.0 CB A:CYS100 3.4 13.0 1.0 CB A:CYS97 3.4 11.9 1.0 N A:CYS97 3.5 10.0 1.0 CA A:CYS111 3.8 9.1 1.0 N A:CYS100 3.8 15.4 1.0 CA A:CYS97 3.9 11.3 1.0 N A:GLY98 3.9 12.8 1.0 N A:LEU112 4.0 11.9 1.0 CA A:CYS100 4.1 15.6 1.0 C A:CYS111 4.2 12.6 1.0 N A:CYS103 4.3 11.8 1.0 C A:CYS97 4.3 14.7 1.0 CA A:CYS103 4.4 11.7 1.0 N A:LYS99 4.5 15.1 1.0 C A:GLN96 4.6 12.4 1.0 CG A:LYS113 4.7 22.2 1.0 N A:LYS113 4.7 12.5 1.0 C A:CYS100 4.8 13.7 1.0 O A:CYS100 4.9 15.2 1.0 CA A:GLN96 5.0 10.7 1.0 C A:LYS99 5.0 18.2 1.0

Zinc binding site 3 out of 4 in the The Structure of Steroid-Active Alcohol Dehydrogenase at 1.54 A Resolution


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of The Structure of Steroid-Active Alcohol Dehydrogenase at 1.54 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1302 b:11.5 occ:1.00 NE2 B:HIS67 2.1 12.2 1.0 O25 B:CHD1250 2.1 12.1 1.0 SG B:CYS173 2.2 10.2 1.0 SG B:CYS46 2.4 10.3 1.0 CE1 B:HIS67 3.0 13.8 1.0 CD2 B:HIS67 3.1 11.0 1.0 C24 B:CHD1250 3.3 24.5 1.0 CB B:CYS46 3.4 10.8 1.0 CB B:CYS173 3.4 8.6 1.0 C5N B:NAD1200 3.5 8.7 1.0 C23 B:CHD1250 3.9 28.1 1.0 C4N B:NAD1200 4.0 9.5 1.0 C6N B:NAD1200 4.1 8.7 1.0 ND1 B:HIS67 4.2 11.3 1.0 CG B:HIS67 4.2 9.6 1.0 CB B:SER48 4.2 11.7 1.0 O26 B:CHD1250 4.2 21.9 1.0 OG B:SER48 4.3 16.1 1.0 NH2 B:ARG368 4.7 13.0 1.0 CA B:CYS173 4.8 10.3 1.0 CE2 B:PHE93 4.8 12.7 1.0 CA B:CYS46 4.8 10.6 1.0 OE2 B:GLU68 4.9 15.7 1.0 N B:SER48 5.0 8.9 1.0

Zinc binding site 4 out of 4 in the The Structure of Steroid-Active Alcohol Dehydrogenase at 1.54 A Resolution


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of The Structure of Steroid-Active Alcohol Dehydrogenase at 1.54 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1303 b:11.5 occ:1.00 SG B:CYS111 2.3 10.5 1.0 SG B:CYS100 2.3 9.6 1.0 SG B:CYS97 2.4 11.1 1.0 SG B:CYS103 2.4 10.1 1.0 CB B:CYS111 3.3 10.0 1.0 CB B:CYS97 3.4 12.0 1.0 CB B:CYS100 3.4 12.1 1.0 CB B:CYS103 3.4 10.1 1.0 N B:CYS97 3.5 11.7 1.0 CA B:CYS111 3.7 8.9 1.0 N B:CYS100 3.8 13.5 1.0 CA B:CYS97 3.9 13.1 1.0 N B:GLY98 3.9 11.8 1.0 N B:LEU112 4.0 11.6 1.0 C B:CYS111 4.1 11.2 1.0 CA B:CYS100 4.2 14.5 1.0 N B:CYS103 4.2 12.8 1.0 C B:CYS97 4.3 14.0 1.0 CA B:CYS103 4.4 11.8 1.0 N B:LYS99 4.5 15.0 1.0 C B:GLN96 4.6 13.6 1.0 N B:LYS113 4.8 11.2 1.0 NZ B:LYS113 4.8 33.2 0.5 CG B:LYS113 4.8 17.1 1.0 C B:CYS100 4.9 13.4 1.0 CA B:GLN96 4.9 9.9 1.0 CA B:GLY98 5.0 13.4 1.0 O B:CYS100 5.0 14.0 1.0 C B:LYS99 5.0 19.1 1.0

H.W.Adolph, P.Zwart, R.Meijers, I.Hubatsch, M.Kiefer, V.Lamzin, E.Cedergren-Zeppezauer. Structural Basis For Substrate Specificity Differences of Horse Liver Alcohol Dehydrogenase Isozymes. Biochemistry V. 39 12885 2000.
ISSN: ISSN 0006-2960
PubMed: 11041853
DOI: 10.1021/BI001376S